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

• ChemBase ID: 192520
• Molecular Formular: C28H32ClNO3
• Molecular Mass: 466.01158
• Monoisotopic Mass: 465.20707157
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)C)Cc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C28H32ClNO3/c1-20(2)33-25-15-11-23(12-16-25)26(27-7-5-6-8-28(27)32-4)17-18-30(21(3)31)19-22-9-13-24(29)14-10-22/h5-16,20,26H,17-19H2,1-4H3
• InChIKey: VGIVDHYZVUVDIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164248430
• PubChem CID: 2945467

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0821476
• LogD (pH = 7.4): 6.082148
• Log P: 6.082148
• Molar Refractivity: 134.3827 cm^3
• Polarizability: 52.351192 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