HCID67022954

(4-tert-Butoxycarbonylamino-cyclohexyl)-carbamic acid phenyl ester

phenyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate

C18H26N2O4334.4 g/mol

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IDENTITY

结构与身份

标准 SMILES: CC(C)(C)OC(=O)NC1CCC(NC(=O)Oc2ccccc2)CC1
InChIKey: PBXSVPYMIXPJJI-UHFFFAOYSA-N
分子式: C18H26N2O4
平均分子量: 334.4 g/mol
单同位素质量: 334.18925731

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 76.7 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 6
重原子: 24
形式电荷: 0
复杂度: 419

ALIASES

名称与别名

共 5 条

(4-tert-Butoxycarbonylamino-cyclohexyl)-carbamic acid phenyl ester1011483-31-0SCHEMBL1412244PBXSVPYMIXPJJI-UHFFFAOYSA-NDB-336099

REACTIONS

参与反应

10 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

HRID215864

uspto-grants-2012_06

作为生成物

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193164B2

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HRID215865

uspto-grants-2012_06

作为反应物

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193164B2

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HRID215871

uspto-grants-2012_06

作为反应物

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193164B2

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HRID697738

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID934460

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID936156

Validation data from https://doi.org/10.1039/C8SC04228D

作为生成物

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1201871

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为生成物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID1232989

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看条件与参与物