3-(2-methoxyphenyl)-N-(2-phenylethyl)-3-[4-(propan-2-yloxy)phenyl]propanamide

• ChemBase ID: 194730
• Molecular Formular: C27H31NO3
• Molecular Mass: 417.53994
• Monoisotopic Mass: 417.23039386
• SMILES: C(c1c(OC)cccc1)(CC(=O)NCCc1ccccc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)NCCc1ccccc1
• InChI: InChI=1S/C27H31NO3/c1-20(2)31-23-15-13-22(14-16-23)25(24-11-7-8-12-26(24)30-3)19-27(29)28-18-17-21-9-5-4-6-10-21/h4-16,20,25H,17-19H2,1-3H3,(H,28,29)
• InChIKey: DVNLTGRIUMJKRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250640
• PubChem CID: 3735010

CALCULATED PROPERTIES

• Acid pKa: 15.531289
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.364294
• LogD (pH = 7.4): 5.364294
• Log P: 5.364294
• Molar Refractivity: 124.7905 cm^3
• Polarizability: 48.675045 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds