4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C16H22N2O3 — CID 43341722

IUPAC4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(NC(=O)NC2(C(=O)O)CCC(C)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-6-8-16(9-7-11,14(19)20)18-15(21)17-13-5-3-4-12(2)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyJORVTXUCVSCJRD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.15
Rot. Bonds3

About 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 43341722) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID43341722
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(NC(=O)NC2(C(=O)O)CCC(C)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-6-8-16(9-7-11,14(19)20)18-15(21)17-13-5-3-4-12(2)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyJORVTXUCVSCJRD-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
CID 61123022
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
4-(3-methylanilino)thiane-4-carboxylic acid
CID 55137542
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802
1-(3-fluoro-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 79050444
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81162784

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 43341722) is 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1cccc(NC(=O)NC2(C(=O)O)CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JORVTXUCVSCJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-8-16(9-7-11,14(19)20)18-15(21)17-13-5-3-4-12(2)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).