2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one

C11H18N2O2 — CID 116710204

IUPAC2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1nccn1CC
InChIInChI=1S/C11H18N2O2/c1-5-13-8-7-12-10(13)9(14)11(3,4)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyBXYLDSRDTULMQP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.90
Rot. Bonds5

About 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one

2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one (PubChem CID 116710204) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
PubChem CID116710204
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1nccn1CC
InChIInChI=1S/C11H18N2O2/c1-5-13-8-7-12-10(13)9(14)11(3,4)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyBXYLDSRDTULMQP-UHFFFAOYSA-N
XLogP1.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-methyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 116710268
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1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 79052166
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
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1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
CID 63975640
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79064858
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one (CID 116710204) is 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one is CCOC(C)(C)C(=O)c1nccn1CC.
What is the InChIKey of 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one?
The InChIKey is BXYLDSRDTULMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-13-8-7-12-10(13)9(14)11(3,4)15-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one?
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 116710204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).