methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate

C22H24N2O4 — CID 17178227

IUPACmethyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H24N2O4/c1-28-22(27)16-13-11-15(12-14-16)20(25)24-19-10-6-5-9-18(19)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyXLMULQLWJWGQCO-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.79
Rot. Bonds5

About methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate

methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 17178227) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID17178227
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H24N2O4/c1-28-22(27)16-13-11-15(12-14-16)20(25)24-19-10-6-5-9-18(19)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyXLMULQLWJWGQCO-UHFFFAOYSA-N
XLogP3.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 17496883
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
methyl 3-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17175604
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 100680992
N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4948989
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-[2-(cyclohexylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922643
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate (CID 17178227) is methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is XLMULQLWJWGQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-28-22(27)16-13-11-15(12-14-16)20(25)24-19-10-6-5-9-18(19)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17178227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).