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

• ChemBase ID: 196736
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c1(C(CC(=O)Nc2ccc(cc2)OCC)Cc2ccccc2)occc1
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)CC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C22H23NO3/c1-2-25-20-12-10-19(11-13-20)23-22(24)16-18(21-9-6-14-26-21)15-17-7-4-3-5-8-17/h3-14,18H,2,15-16H2,1H3,(H,23,24)
• InChIKey: SXLVDVFIDYKDHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252646
• PubChem CID: 3306878

CALCULATED PROPERTIES

• Acid pKa: 14.743395
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.536686
• LogD (pH = 7.4): 4.536686
• Log P: 4.536686
• Molar Refractivity: 103.1682 cm^3
• Polarizability: 39.30334 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds