N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide

C13H23N3O — CID 163900925

IUPACN-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
SMILESCCc1cn(CC(=O)NCC(C)(C)C)c(C)n1
InChIInChI=1S/C13H23N3O/c1-6-11-7-16(10(2)15-11)8-12(17)14-9-13(3,4)5/h7H,6,8-9H2,1-5H3,(H,14,17)
InChIKeyQJULMSDJQXLMBF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.92
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide

N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide (PubChem CID 163900925) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
PubChem CID163900925
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
SMILESCCc1cn(CC(=O)NCC(C)(C)C)c(C)n1
InChIInChI=1S/C13H23N3O/c1-6-11-7-16(10(2)15-11)8-12(17)14-9-13(3,4)5/h7H,6,8-9H2,1-5H3,(H,14,17)
InChIKeyQJULMSDJQXLMBF-UHFFFAOYSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 119641118
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911637
2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 21224553
2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide
CID 146108059
N-(3-ethyl-2-hydroxypentyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 111115855
2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66330529
1-benzyl-4-ethyl-2-methylimidazole
CID 156528930
N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
CID 119522602
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623041
2-(2-methyl-4-nitroimidazol-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511457
2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane
CID 170603085

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide (CID 163900925) is N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide is CCc1cn(CC(=O)NCC(C)(C)C)c(C)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The InChIKey is QJULMSDJQXLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-11-7-16(10(2)15-11)8-12(17)14-9-13(3,4)5/h7H,6,8-9H2,1-5H3,(H,14,17).
What are the key properties of N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 163900925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).