4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid

C15H20N2O3 — CID 61191186

IUPAC4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
SMILESCC1CCCCC1NC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-4-2-3-5-13(10)17-15(20)16-12-8-6-11(7-9-12)14(18)19/h6-10,13H,2-5H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGWDCZVBCIFXWLR-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.09
Rot. Bonds3

About 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid

4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid (PubChem CID 61191186) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
PubChem CID61191186
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
SMILESCC1CCCCC1NC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-4-2-3-5-13(10)17-15(20)16-12-8-6-11(7-9-12)14(18)19/h6-10,13H,2-5H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGWDCZVBCIFXWLR-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
ethyl 4-[(2-methylcyclohexyl)carbamothioylamino]benzoate
CID 17283646

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid (CID 61191186) is 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid is CC1CCCCC1NC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
The InChIKey is GWDCZVBCIFXWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-2-3-5-13(10)17-15(20)16-12-8-6-11(7-9-12)14(18)19/h6-10,13H,2-5H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid?
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61191186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).