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

• ChemBase ID: 191254
• Molecular Formular: C28H33NO3
• Molecular Mass: 431.56652
• Monoisotopic Mass: 431.24604392
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C28H33NO3/c1-21(2)32-27-16-12-25(13-17-27)28(24-8-6-5-7-9-24)18-19-29(22(3)30)20-23-10-14-26(31-4)15-11-23/h5-17,21,28H,18-20H2,1-4H3
• InChIKey: NSUAISKJGHSCEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247164
• PubChem CID: 3708634

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.478103
• LogD (pH = 7.4): 5.4781036
• Log P: 5.4781036
• Molar Refractivity: 129.5779 cm^3
• Polarizability: 50.51831 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