N-{2-[(2S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide

• ChemBase编号: 192353
• 分子式: C23H31NO3
• 平均质量: 369.49714
• 单一同位素质量: 369.23039386
• SMILES: C1(C[C@@](OCC1)(CC)C)(CCN(C(=O)C)Cc1occc1)c1ccccc1
• Canonical SMILES: CC[C@]1(C)OCCC(C1)(CCN(C(=O)C)Cc1ccco1)c1ccccc1
• InChI: InChI=1S/C23H31NO3/c1-4-22(3)18-23(13-16-27-22,20-9-6-5-7-10-20)12-14-24(19(2)25)17-21-11-8-15-26-21/h5-11,15H,4,12-14,16-18H2,1-3H3/t22-,23?/m0/s1
• InChIKey: UQORBKYGADPLOB-NQCNTLBGSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[(2S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide
• IUPAC传统名: N-{2-[(2S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide

登记号

• PubChem SID: 164248263
• PubChem CID: 16397833

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.6437101
• LogD (pH = 7.4): 3.6437106
• Log P: 3.6437106
• 摩尔折射率: 107.3854 cm^3
• 极化性: 41.895153 Å^3
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 7
• 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