[4-(aminomethyl)phenyl] N-(4-aminophenyl)-N-methyl-carbamate

CovInDB Inhibitor

CI005433

Name

[4-(aminomethyl)phenyl] N-(4-aminophenyl)-N-methyl-carbamate

Molecular Formula

C₁₅H₁₇N₃O₂

Molecular Weight

271.1320768 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

[4-(aminomethyl)phenyl] N-(4-aminophenyl)-N-methyl-carbamate

InChI

InChI=1S/C15H17N3O2/c1-18(13-6-4-12(17)5-7-13)15(19)20-14-8-2-11(10-16)3-9-14/h2-9H,10,16-17H2,1H3

InChI Key

CDQWIMPSKIANFP-UHFFFAOYSA-N

Canonical SMILES

CN(C(=O)Oc1ccc(CN)cc1)c1ccc(N)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

271.1320768 g/mol

Computed by RDKit

logP

1.021

Computed by ALOGPS

logS

-0.92

Computed by ALOGPS

Heavy Atom Count

20

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

3

Computed by RDKit

Topological Polar Surface Area

81.58 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.