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

• ChemBase ID: 197940
• Molecular Formular: C32H41NO4
• Molecular Mass: 503.67224
• Monoisotopic Mass: 503.3035588
• SMILES: c1(C(c2ccc(OC(C)C)cc2)CCNC(=O)CC(c2ccc(cc2)OC)C(C)C)c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CC(=O)NCCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C32H41NO4/c1-22(2)30(25-11-15-26(35-5)16-12-25)21-32(34)33-20-19-28(29-9-7-8-10-31(29)36-6)24-13-17-27(18-14-24)37-23(3)4/h7-18,22-23,28,30H,19-21H2,1-6H3,(H,33,34)
• InChIKey: KPHXDVTVTWASSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253850
• PubChem CID: 4362333

CALCULATED PROPERTIES

• Acid pKa: 15.570533
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 6.669796
• LogD (pH = 7.4): 6.6697984
• Log P: 6.6697984
• Molar Refractivity: 149.5529 cm^3
• Polarizability: 58.552517 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds