2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H27NO3 — CID 16792487

IUPAC2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCCC1C(=O)O)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-2-17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyUWRSUYCKFACKOD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds4

About 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 16792487) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID16792487
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCCC1C(=O)O)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-2-17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyUWRSUYCKFACKOD-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(piperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113361053
N-cyclohexyl-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 78833407
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 55116462
2-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102860862
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
5-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 62781192
2-amino-N-cyclopentyl-N-ethyl-5-methylcyclohexane-1-carboxamide
CID 65455288
N-ethyl-2-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 107176120
2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
CID 80997243

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 16792487) is 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid is CCN(C(=O)C1CCCCC1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UWRSUYCKFACKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)16(19)20/h12-14H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16792487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).