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

• ChemBase ID: 190816
• Molecular Formular: C25H27NO3
• Molecular Mass: 389.48678
• Monoisotopic Mass: 389.19909373
• SMILES: C(=O)(CC(c1ccc(OC(C)C)cc1)c1ccccc1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C25H27NO3/c1-18(2)29-23-13-9-20(10-14-23)24(19-7-5-4-6-8-19)17-25(27)26-21-11-15-22(28-3)16-12-21/h4-16,18,24H,17H2,1-3H3,(H,26,27)
• InChIKey: NYQZDJBSIDBENP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246726
• PubChem CID: 2946848

CALCULATED PROPERTIES

• Acid pKa: 14.738343
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.368728
• LogD (pH = 7.4): 5.368728
• Log P: 5.368728
• Molar Refractivity: 116.9813 cm^3
• Polarizability: 44.972893 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds