(E)-2-(2-((2,5-DIMETHYLPHENOXY)METHYL)PHENYL)-2-(METHOXYIMINO)-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 WXUZAHCNPWONDH-DYTRJAOYSA-N
Smiles CNC(=O)\C(=N\OC)\c1ccccc1COc2cc(C)ccc2C
InChI
InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2O3
Molecular Weight 326.39
AlogP 3.57
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 59.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Blumeria graminis f. sp. triticii inoculated on wheat seedlings followed by 100 ppm compound application 7 days after fungal inoculation assessed as wheat powdery mildew disease controlling activity relative to untreated control Blumeria graminis f. sp. tritici 69.0 %
Fungicidal activity against Oculimacula yallundae inoculated oat seeds followed by transfer of inoculated oat seedlings on foot of wheat seedlings followed by 100 ppm compound spraying assessed as degree of wheat eye spot infection (Rvb = 82.9 %) Oculimacula yallundae 66.5 %
Fungicidal activity against Oculimacula yallundae inoculated oat seeds followed by transfer of inoculated oat seedlings on foot of wheat seedlings followed by 400 ppm compound spraying assessed as degree of wheat eye spot infection (Rvb = 82.9 %) Oculimacula yallundae 36.7 %
Fungicidal activity against Oculimacula yallundae assessed as inhibition of mycelial growth Oculimacula yallundae 1.09 ppm
Fungicidal activity against Oculimacula yallundae inoculated oat seeds followed by transfer of inoculated oat seedlings on foot of wheat seedlings followed by 400 ppm compound spraying assessed as wheat eye spot disease control activity relative to untreated control Oculimacula yallundae 56.0 %
Fungicidal activity against Oculimacula yallundae inoculated oat seeds followed by transfer of inoculated oat seedlings on foot of wheat seedlings followed by 100 ppm compound spraying assessed as wheat eye spot disease control activity relative to untreated control Oculimacula yallundae 20.0 %
Fungicidal activity against Blumeria graminis f. sp. triticii inoculated on wheat seedlings followed by 400 ppm compound application 7 days after fungal inoculation assessed as infected leaf area (Rvb = 37.8%) Blumeria graminis f. sp. tritici 15.5 %
Fungicidal activity against Blumeria graminis f. sp. triticii inoculated on wheat seedlings followed by 100 ppm compound application 7 days after fungal inoculation assessed as infected leaf area (Rvb = 37.8%) Blumeria graminis f. sp. tritici 13.0 %
Fungicidal activity against Blumeria graminis f. sp. triticii inoculated on wheat seedlings followed by 400 ppm compound application 7 days after fungal inoculation assessed as wheat powdery mildew disease controlling activity relative to untreated control Blumeria graminis f. sp. tritici 63.0 %
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(untreated) surface of leaf by preventive manner Pseudoperonospora cubensis 90.0 %
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 90.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 2 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC by curative manner Botryotinia fuckeliana 90.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as cucumber gray mold disease control at 7.8 ppm foliar application 24 hr before inoculation at 22 +/- 2 degC by preventive manner Botryotinia fuckeliana 90.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 2 ppm foliar application 24 hr after inoculation at 23 +/- 2 degC by curative manner Podosphaera fuliginea 90.0 %
Fungicidal activity against Podosphaera fuliginea assessed as cucumber powdery mildew control at 2 ppm foliar application 24 hr before inoculation at 23 +/- 2 degC by preventive manner Podosphaera fuliginea 90.0 %
Fungicidal activity against Blumeria graminis f. sp. tritici assessed as wheat powdery mildew disease control at 2 ppm foliar application for 48 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 2 ppm foliar application for 48 hr before inoculation by preventive manner Blumeria graminis f. sp. tritici 90.0 %
Fungicidal activity against Thanatephorus cucumeris assessed as rice sheath blight disease control at 7.8 ppm foliar application for 24 hr before inoculation at 26 +/- 2 degC measured after 5 days by preventive manner Thanatephorus cucumeris 90.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 2 ppm foliar application for 24 hr after inoculation at 27 +/- 2 degC measured after 5 days by curative manner Magnaporthe oryzae 90.0 %
Fungicidal activity against Magnaporthe oryzae assessed as rice blast disease control at 2 ppm foliar application for 24 hr before inoculation at 27 +/- 2 degC measured after 5 days by preventive manner Magnaporthe oryzae 90.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2269453
PubChem 10936292
SureChEMBL SCHEMBL18420
CONTENTS