4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid

C18H32N2O3 — CID 122008436

IUPAC4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1CCC(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-18(2,14-6-4-3-5-7-14)12-19-17(23)20-15-10-8-13(9-11-15)16(21)22/h13-15H,3-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeySNSSLPNBNMEFIS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.54
Rot. Bonds5

About 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122008436) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122008436
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1CCC(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-18(2,14-6-4-3-5-7-14)12-19-17(23)20-15-10-8-13(9-11-15)16(21)22/h13-15H,3-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeySNSSLPNBNMEFIS-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007737
4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 115149167
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183538
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
2-[[3-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007740
4-(5,5-dimethylhexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000907
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122005026
4-(3-methylbut-2-enylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106191136
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
cis-(1R,3S)-3-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320217

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122008436) is 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid is CC(C)(CNC(=O)NC1CCC(C(=O)O)CC1)C1CCCCC1.
What is the InChIKey of 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SNSSLPNBNMEFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,14-6-4-3-5-7-14)12-19-17(23)20-15-10-8-13(9-11-15)16(21)22/h13-15H,3-12H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 324.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122008436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).