N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide

• ChemBase ID: 127179
• Molecular Formular: C24H41NO2
• Molecular Mass: 375.58784
• Monoisotopic Mass: 375.31372956
• SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)NCCO
• Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)NCCO
• InChI: InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)
• InChIKey: FMVHVRYFQIXOAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
• IUPAC Traditional name: docosatetraenoylethanolamide
• Synonyms: DEA; Docosatetraenoylethanolamide

Database IDs

• CAS Number: 150314-35-5
• PubChem SID: 162221501
• PubChem CID: 5282273; 5311073
• CHEMBL: 321585
• Chemspider ID: 4445444
• Wikipedia Title: Docosatetraenoylethanolamide

CALCULATED PROPERTIES

• Acid pKa: 15.463455
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.202939
• LogD (pH = 7.4): 6.2029395
• Log P: 6.2029395
• Molar Refractivity: 122.1672 cm^3
• Polarizability: 45.838226 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false