N-{2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]propanamide

• ChemBase编号: 202989
• 分子式: C24H39NO3
• 平均质量: 389.57136
• 单一同位素质量: 389.29299411
• SMILES: C1(CC(OCC1)(CC)C)(CCN(C(=O)CC)Cc1ccc(cc1)OC)C(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC)CCC1(CCOC(C1)(C)CC)C(C)C
• InChI: InChI=1S/C24H39NO3/c1-7-22(26)25(17-20-9-11-21(27-6)12-10-20)15-13-24(19(3)4)14-16-28-23(5,8-2)18-24/h9-12,19H,7-8,13-18H2,1-6H3
• InChIKey: AIRQQGBZEVXKQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]propanamide
• IUPAC传统名: N-[2-(2-ethyl-4-isopropyl-2-methyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide

登记号

• PubChem SID: 164258899
• PubChem CID: 3719376

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.7241116
• LogD (pH = 7.4): 4.724112
• Log P: 4.724112
• 摩尔折射率: 115.1392 cm^3
• 极化性: 45.326355 Å^3
• 极化表面积: 38.77 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: Stereoisomers
• 分类: Derivatives & analogs of Natural Compounds