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

• ChemBase ID: 194721
• Molecular Formular: C32H41NO3
• Molecular Mass: 487.67284
• Monoisotopic Mass: 487.30864418
• SMILES: C(CC(=O)NCCC(c1ccc(cc1)OC)C(C)C)(c1ccc(cc1)C)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCNC(=O)CC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C32H41NO3/c1-22(2)30(25-11-15-28(35-6)16-12-25)19-20-33-32(34)21-31(26-9-7-24(5)8-10-26)27-13-17-29(18-14-27)36-23(3)4/h7-18,22-23,30-31H,19-21H2,1-6H3,(H,33,34)
• InChIKey: BSCKYWUJJUGJHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250631
• PubChem CID: 4315970

CALCULATED PROPERTIES

• Acid pKa: 15.731953
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 7.340891
• LogD (pH = 7.4): 7.340891
• Log P: 7.340891
• Molar Refractivity: 148.1309 cm^3
• Polarizability: 57.822983 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds