N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide

C13H25NO2 — CID 115163166

IUPACN-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
SMILESCN(CCC1CCCCC1)C(=O)CCCO
InChIInChI=1S/C13H25NO2/c1-14(13(16)8-5-11-15)10-9-12-6-3-2-4-7-12/h12,15H,2-11H2,1H3
InChIKeyBHGJPYBECNXVMG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.19
Rot. Bonds6

About N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide

N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide (PubChem CID 115163166) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
PubChem CID115163166
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
SMILESCN(CCC1CCCCC1)C(=O)CCCO
InChIInChI=1S/C13H25NO2/c1-14(13(16)8-5-11-15)10-9-12-6-3-2-4-7-12/h12,15H,2-11H2,1H3
InChIKeyBHGJPYBECNXVMG-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107202086
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
3-cyclohexyl-N-methyl-N-(2-piperidin-2-ylethyl)propanamide
CID 43187165
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
4-cycloheptylbutan-1-ol
CID 54439965
4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 115759935

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide (CID 115163166) is N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide is CN(CCC1CCCCC1)C(=O)CCCO.
What is the InChIKey of N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is BHGJPYBECNXVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-14(13(16)8-5-11-15)10-9-12-6-3-2-4-7-12/h12,15H,2-11H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide?
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 115163166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).