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

• ChemBase ID: 190894
• Molecular Formular: C28H33NO3
• Molecular Mass: 431.56652
• Monoisotopic Mass: 431.24604392
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)C)Cc1ccccc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccccc1
• InChI: InChI=1S/C28H33NO3/c1-21(2)32-25-16-14-24(15-17-25)26(27-12-8-9-13-28(27)31-4)18-19-29(22(3)30)20-23-10-6-5-7-11-23/h5-17,21,26H,18-20H2,1-4H3
• InChIKey: RDVIABFILVLRPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246804
• PubChem CID: 3816246

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: 50.518497 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