N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)acetamido]ethyl}acetamide

• ChemBase编号: 221319
• 分子式: C20H36N2O4
• 平均质量: 368.51084
• 单一同位素质量: 368.26750764
• SMILES: N(C1CC(OCC1)(C)C)(C(=O)C)CCN(C1CC(OCC1)(C)C)C(=O)C
• Canonical SMILES: CC(=O)N(C1CCOC(C1)(C)C)CCN(C1CCOC(C1)(C)C)C(=O)C
• InChI: InChI=1S/C20H36N2O4/c1-15(23)21(17-7-11-25-19(3,4)13-17)9-10-22(16(2)24)18-8-12-26-20(5,6)14-18/h17-18H,7-14H2,1-6H3
• InChIKey: CSGICRVEKHLVJT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)acetamido]ethyl}acetamide
• IUPAC传统名: N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)acetamido]ethyl}acetamide

登记号

• PubChem SID: 164277229
• PubChem CID: 42648775

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.02072551
• LogD (pH = 7.4): -0.020721804
• Log P: -0.020721758
• 摩尔折射率: 101.6146 cm^3
• 极化性: 39.928104 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds