4-(4-ethoxy-3-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)butanamide

• ChemBase ID: 329760
• Molecular Formular: C20H32N2O2
• Molecular Mass: 332.48028
• Monoisotopic Mass: 332.24637827
• SMILES: N(C(=O)CCCc1cc(c(cc1)OCC)C)(C1CCN(CC1)C)C
• Canonical SMILES: CCOc1ccc(cc1C)CCCC(=O)N(C1CCN(CC1)C)C
• InChI: InChI=1S/C20H32N2O2/c1-5-24-19-10-9-17(15-16(19)2)7-6-8-20(23)22(4)18-11-13-21(3)14-12-18/h9-10,15,18H,5-8,11-14H2,1-4H3
• InChIKey: LPQATHGHUITWET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
• IUPAC Traditional name: 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
• Synonyms: 4-(4-ethoxy-3-methylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.04102548
• LogD (pH = 7.4): 1.6995326
• Log P: 2.8799052
• Molar Refractivity: 99.8873 cm^3
• Polarizability: 38.72134 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -3.77
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7