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Common name


promacyl

Formula


C16H23NO3

CAS


34264-24-9

IUPAC name


3-methyl-5-(1-methylethyl)phenyl N-methyl-N-(1-oxobutyl)carbamate

SMILES


CCCC(=O)N(C)C(=O)Oc1cc(C)cc(c1)C(C)C

INCHI


InChI=1S/C16H23NO3/c1-6-7-15(18)17(5)16(19)20-14-9-12(4)8-13(10-14)11(2)3/h8-11H,6-7H2,1-5H3

Physicochemical Properties

Molecular weight:

277.359

Molar refractivity:

76.624

Num. bonds:

20

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

20.04

Lipophilicity

ALogP:

0.719

MLogP:

2.78

XLogP:

3.911

Water Solubility

CLogS:

-3.71

Geometric

PPSA-1:

467.86

PNSA-1:

153.262

RPCS:

1.28

RNCS:

4.484

THSA:

551.608

TPSA:

69.514

RHSA:

0.888

RPSA:

0.112

Electrostatic

RPCG:

0.245

RNCG:

0.179

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.3

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.776

QEI:

0.883

Gau:

6.885