2,4-Undecadiene-8,10-diynoic acid; (2E,4E)-form, 3-Methylbutylamide 

AlkaPlorer ID: AK317139

Synonym: 2,4-Undecadiene-8,10-diynoic acid isopentylamide, 2,4-Undecadiene-8,10-diynecarboxy-N-isopentylamide 

IUPAC Name: (2E,4Z)-N-(3-methylbutyl)undeca-2,4-dien-8,10-diynamide

Structure

SMILES: C#CC#CCC/C=C\C=C\C(=O)NCCC(C)C

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InChI: InChI=1S/C16H21NO/c1-4-5-6-7-8-9-10-11-12-16(18)17-14-13-15(2)3/h1,9-12,15H,7-8,13-14H2,2-3H3,(H,17,18)/b10-9-,12-11+

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InChIKey: RZVRYQZTKUVHCK-XAZJVICWSA-N

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Reference

PubChem CID: 5371672

CAS: 112663-71-5

Properties Information

Molecule Weight: 243.35

TPSA: 29.1

MolLogP: 2.677900000000001

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information