N-phenyl-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-yl)acetamide

• ChemBase ID: 184910
• Molecular Formular: C22H31NO
• Molecular Mass: 325.48764
• Monoisotopic Mass: 325.24056462
• SMILES: N(C(=O)C)(CC(C=C=C(CCC=C(C)C)C)(C)C)c1ccccc1
• Canonical SMILES: CC(=C=CC(CN(c1ccccc1)C(=O)C)(C)C)CCC=C(C)C
• InChI: InChI=1S/C22H31NO/c1-18(2)11-10-12-19(3)15-16-22(5,6)17-23(20(4)24)21-13-8-7-9-14-21/h7-9,11,13-14,16H,10,12,17H2,1-6H3
• InChIKey: XIPIKRVNQMCZEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-yl)acetamide
• IUPAC Traditional name: N-phenyl-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-yl)acetamide

Database IDs

• PubChem SID: 164240820
• PubChem CID: 1788120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3645396
• LogD (pH = 7.4): 5.3645396
• Log P: 5.3645396
• Molar Refractivity: 104.8641 cm^3
• Polarizability: 40.024467 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds