4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide

C13H23NO2 — CID 141126850

IUPAC4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(15)14-12-6-8-16-9-7-12/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyMCBHEXXXQUISQS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds2

About 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide

4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 141126850) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
PubChem CID141126850
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(15)14-12-6-8-16-9-7-12/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyMCBHEXXXQUISQS-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-butoxypropyl)cyclohexanecarboxamide
CID 2289748
N-(2-methylcyclohexyl)oxane-4-carboxamide
CID 51073130
2-Cyclopentyl-N-[(oxan-4-YL)methyl]acetamide
CID 91905157
2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
N-(2,6-dimethylcyclohexyl)-2-(oxan-3-yl)acetamide
CID 121519285
N-{[1-(Methoxymethyl)cyclobutyl]methyl}cyclohexanecarboxamide
CID 131945198
N-(3-methoxypropyl)cyclohexanecarboxamide
CID 4191027
beta-Alanine, N-cyclohexylcarbonyl-, pentyl ester
CID 91722977
N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide
CID 134859262
cis-ethyl (1R,2S)-2-acetamidocyclohexane-1-carboxylate
CID 162401040
N-(3-ethoxypropyl)cyclohexanecarboxamide
CID 19916601
N-(3-propan-2-yloxypropyl)cyclohexanecarboxamide
CID 19916602

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide (CID 141126850) is 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is MCBHEXXXQUISQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(15)14-12-6-8-16-9-7-12/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide?
4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 141126850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).