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

• ChemBase ID: 190950
• Molecular Formular: C30H38N2O2
• Molecular Mass: 458.63492
• Monoisotopic Mass: 458.29332847
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)c1ccccc1)Cc1ccc(N(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C30H38N2O2/c1-6-30(33)32(22-24-12-16-27(17-13-24)31(4)5)21-20-29(25-10-8-7-9-11-25)26-14-18-28(19-15-26)34-23(2)3/h7-19,23,29H,6,20-22H2,1-5H3
• InChIKey: QRAXGASPCIUCKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246860
• PubChem CID: 3498598

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.3561683
• LogD (pH = 7.4): 6.443125
• Log P: 6.4443545
• Molar Refractivity: 142.1702 cm^3
• Polarizability: 54.687412 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds