HCID11449840

3-Methoxy-4-o-tolylureidophenylacetic acid

2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid

C17H18N2O4314.34 g/mol

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IDENTITY

结构与身份

标准 SMILES: COc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C
InChIKey: LQAWZBVFPYYFGB-UHFFFAOYSA-N
分子式: C17H18N2O4
平均分子量: 314.34 g/mol
单同位素质量: 314.12665706

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 87.7 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 5
重原子: 23
形式电荷: 0
复杂度: 415

ALIASES

名称与别名

共 15 条

SCHEMBL4683165LQAWZBVFPYYFGB-UHFFFAOYSA-N3-methoxy-4-o-tolylureidophenylacetic acid3-methoxy-4-[3-o-tolyl-ureido]phenylacetic acid[3-Methoxy-4-(3-o-tolylureido)phenyl]acetic acid3-methoxy-4-(3-o-tolyl-ureido)-phenylacetic acid[3-methoxy-4-(3-o-tolylureido)phenyl]-acetic acid[3-methoxy-4-(3-o-tolyl-ureido)-phenyl]-acetic acid3-methoxy-4-[3-(2-methylphenyl)ureido]phenylacetic acid3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylaceticacid3-methoxy4-[N'-(2-methylphenyl)ureido]phenylacetic acid3-methoxy-4-[-N'-(2-methylphenyl)ureido]phenylacetic acid3-methoxy-4-[N'-(2-methylphenyl) ureido]phenylacetic acid3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetic acid4-[N'-(2-methylphenyl)ureido]-3-methoxyphenylacetic acid

REACTIONS

参与反应

94 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 98529 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 102697 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 119368 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为生成物

HRID 120711 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 164079 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 173624 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

HRID 193656 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

HRID 194393 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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