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

• ChemBase ID: 190974
• Molecular Formular: C27H31NO2
• Molecular Mass: 401.54054
• Monoisotopic Mass: 401.23547924
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccccc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CCN(C(=O)C)Cc1ccccc1)C
• InChI: InChI=1S/C27H31NO2/c1-21(2)30-26-16-14-25(15-17-26)27(24-12-8-5-9-13-24)18-19-28(22(3)29)20-23-10-6-4-7-11-23/h4-17,21,27H,18-20H2,1-3H3
• InChIKey: UYOWIZWKWSXQHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246884
• PubChem CID: 4610480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.635774
• LogD (pH = 7.4): 5.6357746
• Log P: 5.6357746
• Molar Refractivity: 123.1147 cm^3
• Polarizability: 48.029663 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds