methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate

C21H24N2O3 — CID 112988416

IUPACmethyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-21(25)18-9-5-6-10-19(18)22-16-11-13-17(14-12-16)23-20(24)15-7-3-2-4-8-15/h5-6,9-15,22H,2-4,7-8H2,1H3,(H,23,24)
InChIKeyOCWUIYSNAIFJCZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.74
Rot. Bonds5

About methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate

methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate (PubChem CID 112988416) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
PubChem CID112988416
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namemethyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-21(25)18-9-5-6-10-19(18)22-16-11-13-17(14-12-16)23-20(24)15-7-3-2-4-8-15/h5-6,9-15,22H,2-4,7-8H2,1H3,(H,23,24)
InChIKeyOCWUIYSNAIFJCZ-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987589
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
methyl 2-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112988412
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
methyl 2-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate
CID 18907601
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate?
The IUPAC name of methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate (CID 112988416) is methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate.
What is the SMILES notation for methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate?
The canonical SMILES for methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate?
The InChIKey is OCWUIYSNAIFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-21(25)18-9-5-6-10-19(18)22-16-11-13-17(14-12-16)23-20(24)15-7-3-2-4-8-15/h5-6,9-15,22H,2-4,7-8H2,1H3,(H,23,24).
What are the key properties of methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate?
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate has a molecular weight of 352.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate is sourced from PubChem (CID 112988416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).