2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H27NO3 — CID 43579803

IUPAC2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(N(C)C(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H27NO3/c1-11-7-9-12(10-8-11)17(2)15(18)13-5-3-4-6-14(13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyHKWGBFGOCUBYPJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds3

About 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 43579803) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID43579803
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(N(C)C(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H27NO3/c1-11-7-9-12(10-8-11)17(2)15(18)13-5-3-4-6-14(13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyHKWGBFGOCUBYPJ-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
cis-(1S,2R)-2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311623
2-[cyclobutyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115730407
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102631714
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
2-methylcyclooctane-1-carboxylic acid
CID 21039885
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 43579803) is 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid is CC1CCC(N(C)C(=O)C2CCCCC2C(=O)O)CC1.
What is the InChIKey of 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HKWGBFGOCUBYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11-7-9-12(10-8-11)17(2)15(18)13-5-3-4-6-14(13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43579803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).