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

• ChemBase ID: 190665
• Molecular Formular: C30H38N2O3
• Molecular Mass: 474.63432
• Monoisotopic Mass: 474.28824309
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)C)Cc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccc(cc1)N(C)C
• InChI: InChI=1S/C30H38N2O3/c1-22(2)35-27-17-13-25(14-18-27)28(29-9-7-8-10-30(29)34-6)19-20-32(23(3)33)21-24-11-15-26(16-12-24)31(4)5/h7-18,22,28H,19-21H2,1-6H3
• InChIKey: CDNZCIOMBUXMMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246575
• PubChem CID: 2964477

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.4979615
• LogD (pH = 7.4): 5.584918
• Log P: 5.5861473
• Molar Refractivity: 144.0065 cm^3
• Polarizability: 55.33455 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds