2-ethoxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide

• ChemBase编号: 702744
• 分子式: C12H24N2O2
• 平均质量: 228.33116
• 单一同位素质量: 228.18377802
• SMILES: C(=O)(N(CC1CN(CCC1)C)C)COCC
• Canonical SMILES: CCOCC(=O)N(CC1CCCN(C1)C)C
• InChI: InChI=1S/C12H24N2O2/c1-4-16-10-12(15)14(3)9-11-6-5-7-13(2)8-11/h11H,4-10H2,1-3H3
• InChIKey: ZOLWGUHKYFHPHC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethoxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
• IUPAC传统名: 2-ethoxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
• 别名: 2-ethoxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide

理论计算性质

JChem

• Acid pKa: 19.85306
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -3.0314398
• LogD (pH = 7.4): -1.4036193
• Log P: 0.12871382
• 摩尔折射率: 65.6316 cm^3
• 极化性: 25.531202 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.45
• LOG S: -1.25
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 5