3-[3-(4-Dimethylamino-phenyl)-3-oxo-propenyl]-benzamide

CovInDB Inhibitor

CI000427

Name

3-[3-(4-Dimethylamino-phenyl)-3-oxo-propenyl]-benzamide

Molecular Formula

C₁₈H₁₈N₂O₂

Molecular Weight

294.3 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxo-prop-1-enyl]benzamide

InChI

InChI=1S/C18H18N2O2/c1-20(2)16-9-7-14(8-10-16)17(21)11-6-13-4-3-5-15(12-13)18(19)22/h3-12H,1-2H3,(H2,19,22)/b11-6+

InChI Key

LBGYCHWWYVAIGE-IZZDOVSWSA-N

Canonical SMILES

CN(C)c1ccc(C(=O)/C=C/c2cccc(C(N)=O)c2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

294.3 g/mol

Computed by RDKit

logP

2.83

Computed by ALOGPS

logS

-4.27

Computed by ALOGPS

Heavy Atom Count

22

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

63.4 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.