1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione

C15H18N2O4 — CID 62928045

IUPAC1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione
SMILESCCOc1ccccc1C(O)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C15H18N2O4/c1-3-21-13-7-5-4-6-11(13)12(18)10-17-9-8-16(2)14(19)15(17)20/h4-9,12,18H,3,10H2,1-2H3
InChIKeyINAPSZDQGDONQN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.68
Rot. Bonds5

About 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione

1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione (PubChem CID 62928045) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione
PubChem CID62928045
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione
SMILESCCOc1ccccc1C(O)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C15H18N2O4/c1-3-21-13-7-5-4-6-11(13)12(18)10-17-9-8-16(2)14(19)15(17)20/h4-9,12,18H,3,10H2,1-2H3
InChIKeyINAPSZDQGDONQN-UHFFFAOYSA-N
XLogP0.68
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927691
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
CID 82216400
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
1-[3-(2-aminophenoxy)propyl]-4-methylpyrazine-2,3-dione
CID 62928552
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
CID 62928561
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione (CID 62928045) is 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione is CCOc1ccccc1C(O)Cn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is INAPSZDQGDONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-21-13-7-5-4-6-11(13)12(18)10-17-9-8-16(2)14(19)15(17)20/h4-9,12,18H,3,10H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione?
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 290.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62928045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).