Hexanedioic acid; Diamide

AlkaPlorer ID: AK255811

Synonym: Hexanediamide, Adipamide

IUPAC Name: hexanediamide

Structure

SMILES: NC(=O)CCCCC(N)=O

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InChI: InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

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InChIKey: GVNWZKBFMFUVNX-UHFFFAOYSA-N

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Reference

PubChem CID: 12364

CAS: 628-94-4

SuperNatural Ⅲ: SN0116471

COCONUT: CNP0104382

Properties Information

Molecule Weight: 144.174

TPSA: 86.18

MolLogP: -0.4826000000000001

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Lymphoblastoid cell Potency 794.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015614 N#CCCCCC(N)=O>>NC(=O)CCCCC(N)=O enzymemap_84478
AKRT016819 NC(=O)CCCCC(N)=O>>NC(=O)CCCCC(=O)O enzymemap_77360