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

• ChemBase ID: 191234
• Molecular Formular: C26H29NO4
• Molecular Mass: 419.51276
• Monoisotopic Mass: 419.20965841
• SMILES: C(c1c(OC)cccc1)(CC(=O)Nc1ccc(cc1)OC)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C26H29NO4/c1-18(2)31-22-13-9-19(10-14-22)24(23-7-5-6-8-25(23)30-4)17-26(28)27-20-11-15-21(29-3)16-12-20/h5-16,18,24H,17H2,1-4H3,(H,27,28)
• InChIKey: JSFNLXAYTPKIKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247144
• PubChem CID: 2946361

CALCULATED PROPERTIES

• Acid pKa: 14.738258
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.2110567
• LogD (pH = 7.4): 5.2110567
• Log P: 5.2110567
• Molar Refractivity: 123.4445 cm^3
• Polarizability: 47.47517 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds