N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

• ChemBase ID: 191185
• Molecular Formular: C31H39NO3
• Molecular Mass: 473.64626
• Monoisotopic Mass: 473.29299411
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C31H39NO3/c1-22(2)34-29-15-9-26(10-16-29)21-32(25(6)33)20-19-31(27-11-7-24(5)8-12-27)28-13-17-30(18-14-28)35-23(3)4/h7-18,22-23,31H,19-21H2,1-6H3
• InChIKey: QSAUDJHNRXGUEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
• IUPAC Traditional name: N-[3-(4-isopropoxyphenyl)-3-(4-methylphenyl)propyl]-N-[(4-isopropoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164247095
• PubChem CID: 3338258

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.7649074
• LogD (pH = 7.4): 6.764908
• Log P: 6.764908
• Molar Refractivity: 143.7865 cm^3
• Polarizability: 55.97525 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds