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

• ChemBase ID: 190926
• Molecular Formular: C32H41NO3
• Molecular Mass: 487.67284
• Monoisotopic Mass: 487.30864418
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C32H41NO3/c1-7-32(34)33(22-26-10-16-29(17-11-26)35-23(2)3)21-20-31(27-12-8-25(6)9-13-27)28-14-18-30(19-15-28)36-24(4)5/h8-19,23-24,31H,7,20-22H2,1-6H3
• InChIKey: IATSHFOEJZZTBD-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}propanamide
• IUPAC Traditional name: N-[3-(4-isopropoxyphenyl)-3-(4-methylphenyl)propyl]-N-[(4-isopropoxyphenyl)methyl]propanamide

Database IDs

• PubChem SID: 164246836
• PubChem CID: 4299676

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.465443
• LogD (pH = 7.4): 7.4654436
• Log P: 7.4654436
• Molar Refractivity: 148.4134 cm^3
• Polarizability: 57.821003 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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