N-(4-prop-2-enoylphenyl)butanamide

CovInDB Inhibitor

CI002637

Name

N-(4-prop-2-enoylphenyl)butanamide

Molecular Formula

C₁₃H₁₅NO₂

Molecular Weight

217.11 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-(4-prop-2-enoylphenyl)butanamide

InChI

InChI=1S/C13H15NO2/c1-3-5-13(16)14-11-8-6-10(7-9-11)12(15)4-2/h4,6-9H,2-3,5H2,1H3,(H,14,16)

InChI Key

VZOOAXQUMUTSLY-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)c1ccc(NC(=O)CCC)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

217.11 g/mol

Computed by RDKit

logP

2.33

Computed by ALOGPS

logS

-2.89

Computed by ALOGPS

Heavy Atom Count

16

Computed by RDKit

Ring Count

1

Computed by RDKit

Hydrogen Bond Acceptor Count

2

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

46.17 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.