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

• ChemBase ID: 192705
• Molecular Formular: C28H33NO3
• Molecular Mass: 431.56652
• Monoisotopic Mass: 431.24604392
• SMILES: N(C(=O)CC)(Cc1ccc(cc1)OC)CCC(c1ccc(cc1)OC)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccc(cc1)OC)Cc1ccccc1
• InChI: InChI=1S/C28H33NO3/c1-4-28(30)29(21-23-10-14-26(31-2)15-11-23)19-18-25(20-22-8-6-5-7-9-22)24-12-16-27(32-3)17-13-24/h5-17,25H,4,18-21H2,1-3H3
• InChIKey: GBUHOIAMRWKFKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164248615
• PubChem CID: 3670343

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8498244
• LogD (pH = 7.4): 5.849825
• Log P: 5.849825
• Molar Refractivity: 129.6384 cm^3
• Polarizability: 50.442318 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