N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H25NO2 — CID 112604907

IUPACN-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC1CCCCC1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-10-7-5-6-8-11(10)14-12(15)9-16-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWYCMCRQEHRTQTJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604907) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604907
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC1CCCCC1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-10-7-5-6-8-11(10)14-12(15)9-16-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWYCMCRQEHRTQTJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
N-(4-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602524
N-[(2R)-2-aminocyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 147487636
5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 99804163
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
N-(2-methylcyclohexyl)butanamide
CID 47005567
2-(tert-butylamino)-N-(2-methylcyclopentyl)acetamide
CID 78942036
N-(3-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604612
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
2-(3,5-dimethylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2712790

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604907) is N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC1CCCCC1NC(=O)COC(C)(C)C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is WYCMCRQEHRTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-7-5-6-8-11(10)14-12(15)9-16-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).