2-(3-((2,5-DIMETHYLPHENOXY)METHYL)PHENYL)-2-METHOXY-N-METHYLACETAMIDE

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Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ORNRCIBUVZRIKP-UHFFFAOYSA-N
Smiles CNC(=O)C(OC)c1cccc(COc2cc(C)ccc2C)c1
InChI
InChI=1S/C19H23NO3/c1-13-8-9-14(2)17(10-13)23-12-15-6-5-7-16(11-15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23NO3
Molecular Weight 313.39
AlogP 3.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 47.56
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 2 ppm foliar application 24 hr after inoculation by curative manner Pseudoperonospora cubensis 0.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 7.8 ppm foliar application 24 hr after inoculation by curative manner Pseudoperonospora cubensis 0.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 31.3 ppm foliar application 24 hr after inoculation by curative manner Pseudoperonospora cubensis 30.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 125 ppm foliar application 24 hr after inoculation by curative manner Pseudoperonospora cubensis 30.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 2 ppm foliar application 24 hr before inoculation onto the abaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 50.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 7.8 ppm foliar application 24 hr before inoculation onto the abaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 70.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 31.3 ppm foliar application 24 hr before inoculation onto the abaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 70.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 125 ppm foliar application 24 hr before inoculation onto the abaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 70.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 2 ppm foliar application 24 hr before inoculation onto the adaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 97.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 7.8 ppm foliar application 24 hr before inoculation onto the adaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 97.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 31.3 ppm foliar application 24 hr before inoculation onto the adaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 97.0 %
Fungicidal activity against Pseudoperonospora cubensis assessed as cucumber downy mildew disease control at 125 ppm foliar application 24 hr before inoculation onto the adaxial(treated) surface of leaf by preventive manner Pseudoperonospora cubensis 97.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 2 ppm foliar application 24 hr after inoculation by curative manner Botryotinia fuckeliana 20.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 7.8 ppm foliar application 24 hr after inoculation by curative manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 31.3 ppm foliar application 24 hr after inoculation by curative manner Botryotinia fuckeliana 60.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 125 ppm foliar application 24 hr after inoculation by curative manner Botryotinia fuckeliana 80.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 2 ppm foliar application 24 hr before inoculation by preventive manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 7.8 ppm foliar application 24 hr before inoculation by preventive manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 31.3 ppm foliar application 24 hr before inoculation by preventive manner Botryotinia fuckeliana 80.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 125 ppm foliar application 24 hr before inoculation by preventive manner Botryotinia fuckeliana 80.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 0.125 ppm foliar application 24 hr after inoculation by curative manner Podosphaera fuliginea 30.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 0.5 ppm foliar application 24 hr after inoculation by curative manner Podosphaera fuliginea 70.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 2 ppm foliar application 24 hr after inoculation by curative manner Podosphaera fuliginea 100.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 7.8 ppm foliar application 24 hr after inoculation by curative manner Podosphaera fuliginea 100.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 0.125 ppm foliar application 24 hr before inoculation by preventive manner Podosphaera fuliginea 30.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 0.5 ppm foliar application 24 hr before inoculation by preventive manner Podosphaera fuliginea 70.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 2 ppm foliar application 24 hr before inoculation by preventive manner Podosphaera fuliginea 90.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 7.8 ppm foliar application 24 hr before inoculation by preventive manner Podosphaera fuliginea 99.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 2 ppm foliar application for 24 hr after inoculation by curative manner Blumeria graminis f. sp. tritici 90.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 7.8 ppm foliar application for 24 hr after inoculation by curative manner Blumeria graminis f. sp. tritici 90.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 31.3 ppm foliar application for 24 hr after inoculation by curative manner Blumeria graminis f. sp. tritici 97.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 125 ppm foliar application for 24 hr after inoculation by curative manner Blumeria graminis f. sp. tritici 97.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 2 ppm foliar application for 24 hr before inoculation by preventive manner Blumeria graminis f. sp. tritici 90.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 7.8 ppm foliar application for 24 hr before inoculation by preventive manner Blumeria graminis f. sp. tritici 90.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 31.3 ppm foliar application for 24 hr before inoculation by preventive manner Blumeria graminis f. sp. tritici 97.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 125 ppm foliar application for 24 hr before inoculation by preventive manner Blumeria graminis f. sp. tritici 97.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 2 ppm foliar application for 24 hr after inoculation by curative manner Thanatephorus cucumeris 20.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 7.8 ppm foliar application for 24 hr after inoculation by curative manner Thanatephorus cucumeris 30.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 31.3 ppm foliar application for 24 hr after inoculation by curative manner Thanatephorus cucumeris 40.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 125 ppm foliar application for 24 hr after inoculation by curative manner Thanatephorus cucumeris 70.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 2 ppm foliar application for 24 hr before inoculation by preventive manner Thanatephorus cucumeris 10.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 7.8 ppm foliar application for 24 hr before inoculation by preventive manner Thanatephorus cucumeris 20.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 31.3 ppm foliar application for 24 hr before inoculation by preventive manner Thanatephorus cucumeris 40.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 125 ppm foliar application for 24 hr before inoculation by preventive manner Thanatephorus cucumeris 80.0 %
Fungicidal activity against Magnaporthe oryzae Cav. race 003 assessed as rice blast disease control at 2 ppm foliar application for 24 hr before inoculation by preventive manner Magnaporthe oryzae 30.0 %
Fungicidal activity against Magnaporthe oryzae Cav. race 003 assessed as rice blast disease control at 7.8 ppm foliar application for 24 hr before inoculation by preventive manner Magnaporthe oryzae 70.0 %
Fungicidal activity against Magnaporthe oryzae Cav. race 003 assessed as rice blast disease control at 31.3 ppm foliar application for 24 hr before inoculation by preventive manner Magnaporthe oryzae 90.0 %
Fungicidal activity against Magnaporthe oryzae Cav. race 003 assessed as rice blast disease control at 125 ppm foliar application for 24 hr before inoculation by preventive manner Magnaporthe oryzae 95.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 7.8 ppm treated 24 hr before inoculation by preventive manner Botryotinia fuckeliana 50.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew disease control at 7.8 ppm treated 24 hr before inoculation by preventive manner Podosphaera fuliginea 90.0 %
Fungicidal activity against Magnaporthe oryzae Cav. race 003 assessed as rice blast disease control at 31.3 ppm treated 24 hr before inoculation by preventive manner Magnaporthe oryzae 90.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2286667
PubChem 76316413
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