2-aminoethyl icosa-5,8,11,14-tetraenoate

• ChemBase ID: 130157
• Molecular Formular: C22H37NO2
• Molecular Mass: 347.53468
• Monoisotopic Mass: 347.28242943
• SMILES: O=C(OCCN)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
• Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCCN
• InChI: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3
• InChIKey: DLHLOYYQQGSXCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethyl icosa-5,8,11,14-tetraenoate
• IUPAC Traditional name: 2-aminoethyl icosa-5,8,11,14-tetraenoate
• Synonyms: O-Arachidonoyl ethanolamine; Virodhamine

Database IDs

• CAS Number: 443129-35-9
• PubChem SID: 162224441
• PubChem CID: 71308298; 5712057
• CHEMBL: 187349
• Chemspider ID: 4650158
• Wikipedia Title: Virodhamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.983023
• LogD (pH = 7.4): 4.129463
• Log P: 5.936081
• Molar Refractivity: 112.6729 cm^3
• Polarizability: 42.625507 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false