Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CCN(CC)C(=O)c1ccc(OC)c(OCc2ccccc2)c1
- InChIKey
- UKTLSQVZZNKUTL-UHFFFAOYSA-N
- 分子式
- C19H23NO3
- 平均分子量
- 313.4 g/mol
- 单同位素质量
- 313.1677936
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 38.8 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 7
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 351
ALIASES
名称与别名
SCHEMBL6587769UKTLSQVZZNKUTL-UHFFFAOYSA-N228869-36-1DB-1225783-benzyloxy-N,N-diethyl-4-methoxy-benzamide3-benzyloxy-N.N-diethyl-4-methoxy-benzamide
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06340684B1
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uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06340684B1
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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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uspto-grants-2001_12 · 10.6084/m9.figshare.5104873.v1 · US06329370B1
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uspto-grants-2001_12 · 10.6084/m9.figshare.5104873.v1 · US06329370B1
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uspto-grants-2002_12 · 10.6084/m9.figshare.5104873.v1 · US06492360B1
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