4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 63997378

IUPAC4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NC2CCC(C(=O)O)CC2)C(C)C1
InChIInChI=1S/C16H28N2O3/c1-10-3-8-14(11(2)9-10)18-16(21)17-13-6-4-12(5-7-13)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWZRANCFCKQCQFS-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.75
Rot. Bonds3

About 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63997378) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63997378
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NC2CCC(C(=O)O)CC2)C(C)C1
InChIInChI=1S/C16H28N2O3/c1-10-3-8-14(11(2)9-10)18-16(21)17-13-6-4-12(5-7-13)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWZRANCFCKQCQFS-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63999198
4-[(2,4-dimethylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63997990
4-[(2-propylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114111471
4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114505373
4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
CID 65055017
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101
4-(thiolan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103064077
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567
cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320449

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 63997378) is 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)NC2CCC(C(=O)O)CC2)C(C)C1.
What is the InChIKey of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WZRANCFCKQCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10-3-8-14(11(2)9-10)18-16(21)17-13-6-4-12(5-7-13)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63997378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).