1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one

C14H22N2O4 — CID 116747189

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)c1ncc(OC)nc1OC
InChIInChI=1S/C14H22N2O4/c1-6-14(7-2,20-8-3)12(17)11-13(19-5)16-10(18-4)9-15-11/h9H,6-8H2,1-5H3
InChIKeyMOIJEFGEPBRZLI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.27
Rot. Bonds8

About 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one

1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one (PubChem CID 116747189) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one
PubChem CID116747189
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)c1ncc(OC)nc1OC
InChIInChI=1S/C14H22N2O4/c1-6-14(7-2,20-8-3)12(17)11-13(19-5)16-10(18-4)9-15-11/h9H,6-8H2,1-5H3
InChIKeyMOIJEFGEPBRZLI-UHFFFAOYSA-N
XLogP2.27
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one (CID 116747189) is 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one is CCOC(CC)(CC)C(=O)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one?
The InChIKey is MOIJEFGEPBRZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-6-14(7-2,20-8-3)12(17)11-13(19-5)16-10(18-4)9-15-11/h9H,6-8H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one?
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one is sourced from PubChem (CID 116747189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).