N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase编号: 203226
• 分子式: C24H39NO3
• 平均质量: 389.57136
• 单一同位素质量: 389.29299411
• SMILES: N(C(=O)C)(Cc1ccc(cc1)OC)CCC1(CC(OCC1)(C)C)CCC(C)C
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC1(CCOC(C1)(C)C)CCC(C)C
• InChI: InChI=1S/C24H39NO3/c1-19(2)11-12-24(14-16-28-23(4,5)18-24)13-15-25(20(3)26)17-21-7-9-22(27-6)10-8-21/h7-10,19H,11-18H2,1-6H3
• InChIKey: UZNPFBXZVWMUPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC传统名: N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide

登记号

• PubChem SID: 164259136
• PubChem CID: 3761760

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.390191
• LogD (pH = 7.4): 4.3901916
• Log P: 4.3901916
• 摩尔折射率: 115.1903 cm^3
• 极化性: 45.326355 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 9
• 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