N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide

C13H25NO2 — CID 5106343

IUPACN-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)C1CCC(C)CC1O
InChIInChI=1S/C13H25NO2/c1-5-12(16)14-13(3,4)10-7-6-9(2)8-11(10)15/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyHPEAKPHOLXLSCP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds3

About N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide

N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide (PubChem CID 5106343) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide
PubChem CID5106343
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)C1CCC(C)CC1O
InChIInChI=1S/C13H25NO2/c1-5-12(16)14-13(3,4)10-7-6-9(2)8-11(10)15/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyHPEAKPHOLXLSCP-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584
2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
CID 64766518
2-(1-ethoxy-2-methylpropan-2-yl)-5-methylcyclohexan-1-ol
CID 79570834
5-methyl-2-(2-methylnonan-2-yl)cyclohexan-1-ol
CID 64766694
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
N-(3,4-dihydroxycyclopentyl)propanamide
CID 170769048
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]-2-methylpropanenitrile
CID 130129826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide?
The IUPAC name of N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide (CID 5106343) is N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide.
What is the SMILES notation for N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide?
The canonical SMILES for N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide is CCC(=O)NC(C)(C)C1CCC(C)CC1O.
What is the InChIKey of N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide?
The InChIKey is HPEAKPHOLXLSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-12(16)14-13(3,4)10-7-6-9(2)8-11(10)15/h9-11,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide?
N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-4-methylcyclohexyl)propan-2-yl]propanamide is sourced from PubChem (CID 5106343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).