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

• ChemBase ID: 190668
• Molecular Formular: C26H29NO3
• Molecular Mass: 403.51336
• Monoisotopic Mass: 403.21474379
• SMILES: C(=O)(CC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C26H29NO3/c1-18(2)30-24-13-9-21(10-14-24)25(20-7-5-19(3)6-8-20)17-26(28)27-22-11-15-23(29-4)16-12-22/h5-16,18,25H,17H2,1-4H3,(H,27,28)
• InChIKey: KTMCXBDPKPKSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246578
• PubChem CID: 3697490

CALCULATED PROPERTIES

• Acid pKa: 14.738343
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.8821497
• LogD (pH = 7.4): 5.8821497
• Log P: 5.8821497
• Molar Refractivity: 122.0225 cm^3
• Polarizability: 46.738815 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds