N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]propanamide

• ChemBase ID: 192309
• Molecular Formular: C28H33NO4
• Molecular Mass: 447.56592
• Monoisotopic Mass: 447.24095854
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1ccc(cc1)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccccc1OC)c1ccc(cc1)OC
• InChI: InChI=1S/C28H33NO4/c1-5-28(30)29(20-21-10-14-23(31-2)15-11-21)19-18-25(22-12-16-24(32-3)17-13-22)26-8-6-7-9-27(26)33-4/h6-17,25H,5,18-20H2,1-4H3
• InChIKey: QUEOLZCAUOXMJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]propanamide
• IUPAC Traditional name: N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]propanamide

Database IDs

• PubChem SID: 164248219
• PubChem CID: 3840676

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2475843
• LogD (pH = 7.4): 5.247585
• Log P: 5.247585
• Molar Refractivity: 131.5006 cm^3
• Polarizability: 51.1729 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds