3-(furan-2-yl)-4-phenylbutanamide

• ChemBase ID: 198721
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(C(CC(=O)N)Cc2ccccc2)occc1
• Canonical SMILES: NC(=O)CC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C14H15NO2/c15-14(16)10-12(13-7-4-8-17-13)9-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H2,15,16)
• InChIKey: KXCPZNDCHCRVAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-4-phenylbutanamide
• IUPAC Traditional name: 3-(furan-2-yl)-4-phenylbutanamide

Database IDs

• PubChem SID: 164254631
• PubChem CID: 3507337

CALCULATED PROPERTIES

• Acid pKa: 15.917545
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0963047
• LogD (pH = 7.4): 2.096305
• Log P: 2.096305
• Molar Refractivity: 65.5013 cm^3
• Polarizability: 25.356722 Å^3
• Polar Surface Area: 56.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds