N'-BENZOYL-N-TERT-BUTYL-3,5-DIMETHYLBENZOHYDRAZIDE

/static/temp/default.svg Search structure
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 RIQWCSUNJYMQFI-UHFFFAOYSA-N
Smiles Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2ccccc2)C(C)(C)C
InChI
InChI=1S/C20H24N2O2/c1-14-11-15(2)13-17(12-14)19(24)22(20(3,4)5)21-18(23)16-9-7-6-8-10-16/h6-13H,1-5H3,(H,21,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N2O2
Molecular Weight 324.42
AlogP 3.98
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 200 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 100 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 50 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 25 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 10 mg/L measured after 4 days by leaf-dip method Mythimna separata 80.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 10 mg/kg at 25 +/-1 degC measured after 4 days Mythimna separata 10.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 50 mg/kg at 25 +/-1 degC measured after 4 days Mythimna separata 80.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 100 mg/kg at 25 +/-1 degC measured after 4 days Mythimna separata 100.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 200 mg/kg at 25 +/-1 degC measured after 4 days Mythimna separata 100.0 %
Insecticidal activity against apterous adult stage of Aphis fabae (black bean aphids) in soybean tender shoots assessed as induction of premature, abnormal and lethal larva moult at 10 mg/l treated for 5 secs measured after 3 days by modified FAO dip test Aphis fabae None
Insecticidal activity against apterous adult stage of Aphis fabae ( black bean aphids) in soybean tender shoots assessed as death rate at 200 mg/l treated for 5 secs measured after 48 hr by modified FAO dip test Aphis fabae 12.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 10 mg/l after 4 days Mythimna separata 10.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 25 mg/l after 4 days Mythimna separata 60.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 50 mg/l after 4 days Mythimna separata 100.0 %
Ratio of LD50 for Spodoptera littoralis to LD50 for Bombyx mori None 3.09
Larvicidal activity against Spodoptera littoralis assessed as mortality applied topically after 1 week Spodoptera littoralis 5.49
Larvicidal activity against Bombyx mori assessed as mortality applied topically after 1 week Bombyx mori 5.98
Selectivity ratio of EC50 for ecdysone receptor in Bombyx mori Bm5 cells to EC50 for ecdysone receptor in Spodoptera littoralis Sl2 cells None 0.39
Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide Spodoptera littoralis 75.0 %
Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay Spodoptera littoralis 501.19 nM
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide Bombyx mori 118.0 %
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay Bombyx mori 199.53 nM
Ratio of EC50 for EcR in Drosophila melanogaster S2 cells to EC50 for EcR in Bombyx mori Bm5 cells None 100.0
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay Bombyx mori 69.18 nM
Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells at 100 uM after 24 hr by luciferase reporter gene assay relative to 20-hydroxyecdysone Drosophila melanogaster 57.0 %
Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay Drosophila melanogaster 66069.34 nM

Cross References

Resources Reference
ChEMBL CHEMBL2228438
PubChem 183463
SureChEMBL SCHEMBL8175233
ZINC ZINC01092856
CONTENTS