1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid

C15H20N2O3 — CID 61289571

IUPAC1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2ccc(C(N)=O)cc2)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O3/c1-10-6-8-15(9-7-10,14(19)20)17-12-4-2-11(3-5-12)13(16)18/h2-5,10,17H,6-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyVKPOOICSBVBZNG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.23
Rot. Bonds4

About 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid

1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 61289571) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
PubChem CID61289571
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2ccc(C(N)=O)cc2)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O3/c1-10-6-8-15(9-7-10,14(19)20)17-12-4-2-11(3-5-12)13(16)18/h2-5,10,17H,6-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyVKPOOICSBVBZNG-UHFFFAOYSA-N
XLogP2.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61289753
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 61341954
1-(2-carbamoyl-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 62307229
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
1-(3-fluoro-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 79050444
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-(4-methoxyanilino)-3-methylcyclopentane-1-carboxamide
CID 64516643
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
1-(4-bromoanilino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63448970
methyl 1-(4-chloroanilino)-4-methylcyclohexane-1-carboxylate
CID 54890558

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid (CID 61289571) is 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(Nc2ccc(C(N)=O)cc2)(C(=O)O)CC1.
What is the InChIKey of 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is VKPOOICSBVBZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-8-15(9-7-10,14(19)20)17-12-4-2-11(3-5-12)13(16)18/h2-5,10,17H,6-9H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid?
1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61289571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).