2-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)acetamide

• ChemBase ID: 653357
• Molecular Formular: C20H32N2O2
• Molecular Mass: 332.48028
• Monoisotopic Mass: 332.24637827
• SMILES: C(=O)(N(C1CCN(CC1)C)CCCOC)Cc1c(ccc(c1)C)C
• Canonical SMILES: COCCCN(C(=O)Cc1cc(C)ccc1C)C1CCN(CC1)C
• InChI: InChI=1S/C20H32N2O2/c1-16-6-7-17(2)18(14-16)15-20(23)22(10-5-13-24-4)19-8-11-21(3)12-9-19/h6-7,14,19H,5,8-13,15H2,1-4H3
• InChIKey: QFCGWRDZINUUCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)acetamide
• IUPAC Traditional name: 2-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)acetamide
• Synonyms: 2-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.94
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 2.71

JChem

• Molar Refractivity: 100.4236 cm^3
• Polarizability: 38.657745 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5272775
• LogD (pH = 7.4): 1.2297274
• Log P: 2.3180368