(2E)-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide

• ChemBase ID: 181826
• Molecular Formular: C19H21NO
• Molecular Mass: 279.37614
• Monoisotopic Mass: 279.1623143
• SMILES: C(=O)(/C=C/c1ccccc1)NC(Cc1ccccc1)CC
• Canonical SMILES: CCC(Cc1ccccc1)NC(=O)/C=C/c1ccccc1
• InChI: InChI=1S/C19H21NO/c1-2-18(15-17-11-7-4-8-12-17)20-19(21)14-13-16-9-5-3-6-10-16/h3-14,18H,2,15H2,1H3,(H,20,21)/b14-13+
• InChIKey: SYULUGXEZUGLET-BUHFOSPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide
• IUPAC Traditional name: (2E)-3-phenyl-N-(1-phenylbutan-2-yl)prop-2-enamide

Database IDs

• PubChem SID: 164237736
• PubChem CID: 5331141

CALCULATED PROPERTIES

• Acid pKa: 16.01538
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.504985
• LogD (pH = 7.4): 4.5050507
• Log P: 4.5050516
• Molar Refractivity: 88.0892 cm^3
• Polarizability: 33.915585 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds