N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-N-[(2,2-dimethyloxan-4-yl)methyl]propanamide

• ChemBase编号: 191028
• 分子式: C26H41NO3
• 平均质量: 415.60864
• 单一同位素质量: 415.30864418
• SMILES: C1(CC(OCC1)(C)C)(CCN(C(=O)CC)CC1CC(OCC1)(C)C)c1ccccc1
• Canonical SMILES: CCC(=O)N(CC1CCOC(C1)(C)C)CCC1(CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C26H41NO3/c1-6-23(28)27(19-21-12-16-29-24(2,3)18-21)15-13-26(22-10-8-7-9-11-22)14-17-30-25(4,5)20-26/h7-11,21H,6,12-20H2,1-5H3
• InChIKey: GKDKSIREVZNNIU-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164246938
• PubChem CID: 4527694

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.155938
• LogD (pH = 7.4): 4.155943
• Log P: 4.155943
• 摩尔折射率: 122.8353 cm^3
• 极化性: 48.29991 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7
• 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