2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide

C13H25NO2S — CID 114124423

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCC(NC(=O)COC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2S/c1-13(2,3)16-9-12(15)14-10-5-7-11(17-4)8-6-10/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyZXTOLDCETJLNKN-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.59
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide (PubChem CID 114124423) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide
PubChem CID114124423
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCC(NC(=O)COC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2S/c1-13(2,3)16-9-12(15)14-10-5-7-11(17-4)8-6-10/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyZXTOLDCETJLNKN-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 172516053
ethane;N-(4-methylsulfanylcyclohexyl)propanamide
CID 142541803
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613
N-(3-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604612
2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 112602539
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602740
2-[(2-methylpropan-2-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 112604371
N-(1,2-dimethylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605581
N-(1-ethylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605280
N-[(2R)-2-aminocyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 147487636

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide (CID 114124423) is 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide is CSC1CCC(NC(=O)COC(C)(C)C)CC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide?
The InChIKey is ZXTOLDCETJLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-13(2,3)16-9-12(15)14-10-5-7-11(17-4)8-6-10/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide has a molecular weight of 259.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide is sourced from PubChem (CID 114124423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).