N-[2-(3-ethoxyphenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide

• ChemBase编号: 427625
• 分子式: C18H26N2O4
• 平均质量: 334.41004
• 单一同位素质量: 334.18925732
• SMILES: N1(C(=O)CCCC1)CC(=O)N(CCOc1cc(OCC)ccc1)C
• Canonical SMILES: CCOc1cccc(c1)OCCN(C(=O)CN1CCCCC1=O)C
• InChI: InChI=1S/C18H26N2O4/c1-3-23-15-7-6-8-16(13-15)24-12-11-19(2)18(22)14-20-10-5-4-9-17(20)21/h6-8,13H,3-5,9-12,14H2,1-2H3
• InChIKey: QFOPTCNLSRNPDQ-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

Provided by Chembridge

• Log P: 1.59
• LOG S: -3.0
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 8
• 质子受体: 4
• 质子供体: 0

JChem

• 摩尔折射率: 91.2198 cm^3
• 极化性: 35.48674 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• Acid pKa: 19.490007
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0502145
• LogD (pH = 7.4): 1.0502145
• Log P: 1.0502145