N-[3-(furan-2-yl)-3-phenylpropyl]-3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide

• ChemBase ID: 192780
• Molecular Formular: C32H35NO4
• Molecular Mass: 497.6246
• Monoisotopic Mass: 497.25660861
• SMILES: C(c1c(OC)cccc1)(CC(=O)NCCC(c1occc1)c1ccccc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)NCCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C32H35NO4/c1-23(2)37-26-17-15-25(16-18-26)29(28-12-7-8-13-30(28)35-3)22-32(34)33-20-19-27(31-14-9-21-36-31)24-10-5-4-6-11-24/h4-18,21,23,27,29H,19-20,22H2,1-3H3,(H,33,34)
• InChIKey: SVAJLNGAFFKFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-phenylpropyl]-3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-phenylpropyl]-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propanamide

Database IDs

• PubChem SID: 164248690
• PubChem CID: 3727346

CALCULATED PROPERTIES

• Acid pKa: 15.29683
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 6.2119784
• LogD (pH = 7.4): 6.211979
• Log P: 6.211979
• Molar Refractivity: 146.503 cm^3
• Polarizability: 56.960266 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds