N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylacetamide

• ChemBase ID: 592265
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: C(=O)(N(CC1CCN(CC1)C)CCc1ccc(cc1)OC)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)CCN(C(=O)Cc1ccccc1)CC1CCN(CC1)C
• InChI: InChI=1S/C24H32N2O2/c1-25-15-12-22(13-16-25)19-26(24(27)18-21-6-4-3-5-7-21)17-14-20-8-10-23(28-2)11-9-20/h3-11,22H,12-19H2,1-2H3
• InChIKey: UDRJVFUQGXQNTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylacetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylacetamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methyl-4-piperidinyl)methyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.41744846
• LogD (pH = 7.4): 2.0319963
• Log P: 3.5942736
• Molar Refractivity: 115.0811 cm^3
• Polarizability: 44.726315 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.49
• LOG S: -3.63
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7