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

• ChemBase ID: 190812
• Molecular Formular: C30H37NO3
• Molecular Mass: 459.61968
• Monoisotopic Mass: 459.27734405
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C30H37NO3/c1-6-30(32)31(21-24-9-15-27(33-5)16-10-24)20-19-29(25-11-7-23(4)8-12-25)26-13-17-28(18-14-26)34-22(2)3/h7-18,22,29H,6,19-21H2,1-5H3
• InChIKey: LHXUJVWEFRBMGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246722
• PubChem CID: 4354357

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.69206
• LogD (pH = 7.4): 6.6920605
• Log P: 6.6920605
• Molar Refractivity: 139.246 cm^3
• Polarizability: 54.129913 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