Molecule

Undeca-2E,4Z-diene-8,10-diynoic acid isobutylamide

AlkaPlorer ID: AK000447

Synonym: 'Undeca-2Z,4E-diene-8,10-diynoic acid isobutylamide', '(2E,4Z)-N-(2-methylpropyl)undeca-2,4-diene-8,10-diynamide', '(2E,4E)-N-(2-methylpropyl)undeca-2,4-diene-8,10-diynamide', '(2Z,4E)-N-(2-methylpropyl)undeca-2,4-diene-8,10-diynamide', 'Undeca-2E,4E-diene-8,10-diynoic acid isobutylamide'

IUPAC Name: N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide

Structure

SMILES: C#CC#CCCC=CC=CC(O)=NCC(C)C

InChI: InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,9-12,14H,7-8,13H2,2-3H3,(H,16,17)

InChIKey: PSAKYIJFKFCZFO-UHFFFAOYSA-N

Reference

Alkamides and a neolignan from Echinacea purpurea roots and the interaction of alkamides with G-protein-coupled cannabinoid receptors

PubChem CID: 593849

CAS: 13894-69-4

LOTUS: LTS0188669

NPASS: NPC62805

COCONUT: CNP0264889

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Echinacea angustifolia	Echinacea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 229.323

TPSA？: 32.59

MolLogP？: 3.1281000000000017

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi