N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-(1-phenylethyl)propanamide

• ChemBase编号: 186958
• 分子式: C27H37NO2
• 平均质量: 407.58818
• 单一同位素质量: 407.28242943
• SMILES: N(C(=O)CC)(C(c1ccccc1)C)CCC(C1CC(OCC1)(C)C)c1ccccc1
• Canonical SMILES: CCC(=O)N(C(c1ccccc1)C)CCC(C1CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C27H37NO2/c1-5-26(29)28(21(2)22-12-8-6-9-13-22)18-16-25(23-14-10-7-11-15-23)24-17-19-30-27(3,4)20-24/h6-15,21,24-25H,5,16-20H2,1-4H3
• InChIKey: AKAMYEOOALBFQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-(1-phenylethyl)propanamide
• IUPAC传统名: N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-(1-phenylethyl)propanamide

登记号

• PubChem SID: 164242868
• PubChem CID: 3762860

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.609592
• LogD (pH = 7.4): 5.609593
• Log P: 5.609593
• 摩尔折射率: 124.1907 cm^3
• 极化性: 48.756725 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

产品相关信息

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