2-Hydroxy-4,5-methylenedioxycinnamic acid; (E)-form, 4-Aminobutylamide 

AlkaPlorer ID: AK301489

Synonym: None

IUPAC Name: (E)-N-(4-aminobutyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)prop-2-enamide

Structure

SMILES: NCCCCNC(=O)/C=C/C1=CC2=C(C=C1O)OCO2

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InChI: InChI=1S/C14H18N2O4/c15-5-1-2-6-16-14(18)4-3-10-7-12-13(8-11(10)17)20-9-19-12/h3-4,7-8,17H,1-2,5-6,9,15H2,(H,16,18)/b4-3+

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InChIKey: JPYGOHCLYFCCCJ-ONEGZZNKSA-N

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Reference

PubChem CID: 168437516

CAS: 1971064-92-2

Source

Properties Information

Molecule Weight: 278.30800000000005

TPSA: 93.81

MolLogP: 0.9892

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information