N-[3-(4-methoxyphenyl)-4-phenylbutyl]-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 191547
• Molecular Formular: C27H31NO3
• Molecular Mass: 417.53994
• Monoisotopic Mass: 417.23039386
• SMILES: N(C(=O)C)(Cc1ccc(cc1)OC)CCC(c1ccc(cc1)OC)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC)Cc1ccccc1
• InChI: InChI=1S/C27H31NO3/c1-21(29)28(20-23-9-13-26(30-2)14-10-23)18-17-25(19-22-7-5-4-6-8-22)24-11-15-27(31-3)16-12-24/h4-16,25H,17-20H2,1-3H3
• InChIKey: HMYMAWNTJABJFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenyl)-4-phenylbutyl]-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: N-[3-(4-methoxyphenyl)-4-phenylbutyl]-N-[(4-methoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164247457
• PubChem CID: 3786673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1492887
• LogD (pH = 7.4): 5.149289
• Log P: 5.149289
• Molar Refractivity: 125.0115 cm^3
• Polarizability: 48.59695 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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