N-[(4-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]acetamide

• ChemBase ID: 190813
• Molecular Formular: C29H35NO3
• Molecular Mass: 445.5931
• Monoisotopic Mass: 445.26169399
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C29H35NO3/c1-21(2)33-28-16-12-26(13-17-28)29(25-10-6-22(3)7-11-25)18-19-30(23(4)31)20-24-8-14-27(32-5)15-9-24/h6-17,21,29H,18-20H2,1-5H3
• InChIKey: NHUADAMKWCCPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246723
• PubChem CID: 4593653

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.991524
• LogD (pH = 7.4): 5.9915247
• Log P: 5.9915247
• Molar Refractivity: 134.6191 cm^3
• Polarizability: 52.284336 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds