4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C18H32N2O3 — CID 122005026

IUPAC4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)C(C)C1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-12(14-6-4-3-5-7-14)13(2)19-18(23)20-16-10-8-15(9-11-16)17(21)22/h12-16H,3-11H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeySPBQNYJGVACHHV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.53
Rot. Bonds5

About 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 122005026) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID122005026
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)C(C)C1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-12(14-6-4-3-5-7-14)13(2)19-18(23)20-16-10-8-15(9-11-16)17(21)22/h12-16H,3-11H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeySPBQNYJGVACHHV-UHFFFAOYSA-N
XLogP3.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017165
4-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089818
cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173004
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465769
4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61478888
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 122005026) is 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CC(NC(=O)NC1CCC(C(=O)O)CC1)C(C)C1CCCCC1.
What is the InChIKey of 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SPBQNYJGVACHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-12(14-6-4-3-5-7-14)13(2)19-18(23)20-16-10-8-15(9-11-16)17(21)22/h12-16H,3-11H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 324.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122005026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).