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

• ChemBase编号: 191659
• 分子式: C25H35NO3
• 平均质量: 397.5503
• 单一同位素质量: 397.26169399
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(C1CC(OCC1)(C)C)Cc1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(C1CCOC(C1)(C)C)Cc1ccccc1
• InChI: InChI=1S/C25H35NO3/c1-4-24(27)26(19-23-11-8-15-28-23)14-12-21(17-20-9-6-5-7-10-20)22-13-16-29-25(2,3)18-22/h5-11,15,21-22H,4,12-14,16-19H2,1-3H3
• InChIKey: LUVDFJKIHZPFDY-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)propanamide
• IUPAC传统名: N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-N-(furan-2-ylmethyl)propanamide

登记号

• PubChem SID: 164247569
• PubChem CID: 3438739

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.6978326
• LogD (pH = 7.4): 4.697833
• Log P: 4.697833
• 摩尔折射率: 116.7638 cm^3
• 极化性: 45.50586 Å^3
• 极化表面积: 42.68 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

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