(2E)-3-(furan-2-yl)-N-(4-phenylbutan-2-yl)prop-2-enamide

• ChemBase ID: 191660
• Molecular Formular: C17H19NO2
• Molecular Mass: 269.33826
• Monoisotopic Mass: 269.14157885
• SMILES: C(=O)(/C=C/c1occc1)NC(CCc1ccccc1)C
• Canonical SMILES: CC(NC(=O)/C=C/c1ccco1)CCc1ccccc1
• InChI: InChI=1S/C17H19NO2/c1-14(9-10-15-6-3-2-4-7-15)18-17(19)12-11-16-8-5-13-20-16/h2-8,11-14H,9-10H2,1H3,(H,18,19)/b12-11+
• InChIKey: SZENXQVLNUTSDA-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-(furan-2-yl)-N-(4-phenylbutan-2-yl)prop-2-enamide
• IUPAC Traditional name: (2E)-3-(furan-2-yl)-N-(4-phenylbutan-2-yl)prop-2-enamide

Database IDs

• PubChem SID: 164247570
• PubChem CID: 6380573

CALCULATED PROPERTIES

• Acid pKa: 15.436031
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4872887
• LogD (pH = 7.4): 3.4873435
• Log P: 3.4873443
• Molar Refractivity: 80.5571 cm^3
• Polarizability: 30.725224 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds