methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate

C16H22N2O3 — CID 17217884

IUPACmethyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-7-13(8-4-11)17-16(20)18-14-9-5-12(6-10-14)15(19)21-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyXGCSINUYYJJQTR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.17
Rot. Bonds3

About methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate

methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate (PubChem CID 17217884) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
PubChem CID17217884
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-7-13(8-4-11)17-16(20)18-14-9-5-12(6-10-14)15(19)21-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyXGCSINUYYJJQTR-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-tert-butylcyclohexyl)carbamoylamino]benzoate
CID 17217886
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate
CID 90026962
methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
methyl 4-[(1-pyridin-3-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 171679838
methyl 4-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]benzoate
CID 42393817
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate?
The IUPAC name of methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate (CID 17217884) is methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate?
The InChIKey is XGCSINUYYJJQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-7-13(8-4-11)17-16(20)18-14-9-5-12(6-10-14)15(19)21-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H2,17,18,20).
What are the key properties of methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate?
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate is sourced from PubChem (CID 17217884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).