N-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

• ChemBase编号: 185571
• 分子式: C24H31NO2
• 平均质量: 365.50844
• 单一同位素质量: 365.23547924
• SMILES: C1(CC(OCC1)(C)C)(CCN(C(=O)C)Cc1ccccc1)c1ccccc1
• Canonical SMILES: CC(=O)N(Cc1ccccc1)CCC1(CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C24H31NO2/c1-20(26)25(18-21-10-6-4-7-11-21)16-14-24(22-12-8-5-9-13-22)15-17-27-23(2,3)19-24/h4-13H,14-19H2,1-3H3
• InChIKey: PBQYOPSXQSMRGG-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164241481
• PubChem CID: 3336705

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.060941
• LogD (pH = 7.4): 4.0609417
• Log P: 4.0609417
• 摩尔折射率: 110.4705 cm^3
• 极化性: 43.219353 Å^3
• 极化表面积: 29.54 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

• 分类: Derivatives & analogs of Natural Compounds