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

• ChemBase ID: 192428
• Molecular Formular: C31H33NO3
• Molecular Mass: 467.59862
• Monoisotopic Mass: 467.24604392
• SMILES: c1(occc1)C(c1ccccc1)CCNC(=O)CC(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)NCCC(c1ccco1)c1ccccc1)C
• InChI: InChI=1S/C31H33NO3/c1-23(2)35-27-17-15-26(16-18-27)29(25-12-7-4-8-13-25)22-31(33)32-20-19-28(30-14-9-21-34-30)24-10-5-3-6-11-24/h3-18,21,23,28-29H,19-20,22H2,1-2H3,(H,32,33)
• InChIKey: USGBCOPELOOHQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164248338
• PubChem CID: 3527873

CALCULATED PROPERTIES

• Acid pKa: 15.399449
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.36965
• LogD (pH = 7.4): 6.36965
• Log P: 6.36965
• Molar Refractivity: 140.0398 cm^3
• Polarizability: 54.462196 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds