N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide

• ChemBase编号: 191717
• 分子式: C24H33NO3
• 平均质量: 383.52372
• 单一同位素质量: 383.24604392
• SMILES: N(C(=O)C)(Cc1occc1)CCC(C1CC(OCC1)(C)C)Cc1ccccc1
• Canonical SMILES: CC(=O)N(Cc1ccco1)CCC(C1CCOC(C1)(C)C)Cc1ccccc1
• InChI: InChI=1S/C24H33NO3/c1-19(26)25(18-23-10-7-14-27-23)13-11-21(16-20-8-5-4-6-9-20)22-12-15-28-24(2,3)17-22/h4-10,14,21-22H,11-13,15-18H2,1-3H3
• InChIKey: JAZNZAFCHUHFCY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide
• IUPAC传统名: N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide

登记号

• PubChem SID: 164247627
• PubChem CID: 3156998

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.997297
• LogD (pH = 7.4): 3.9972975
• Log P: 3.9972975
• 摩尔折射率: 112.1369 cm^3
• 极化性: 43.66266 Å^3
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: 2 Diastereomers
• 分类: Derivatives & analogs of Natural Compounds