N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase编号: 185308
• 分子式: C19H29NO3
• 平均质量: 319.43846
• 单一同位素质量: 319.21474379
• SMILES: N(C(=O)C)(Cc1ccc(cc1)OC)CCC1CC(OCC1)(C)C
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC1CCOC(C1)(C)C
• InChI: InChI=1S/C19H29NO3/c1-15(21)20(14-17-5-7-18(22-4)8-6-17)11-9-16-10-12-23-19(2,3)13-16/h5-8,16H,9-14H2,1-4H3
• InChIKey: OEFONZDTNCUOMA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164241218
• PubChem CID: 2877795

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.4694188
• LogD (pH = 7.4): 2.4694192
• Log P: 2.4694192
• 摩尔折射率: 92.3636 cm^3
• 极化性: 36.11137 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: Stereoisomers
• 分类: Derivatives & analogs of Natural Compounds