2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

C21H21N3O3 — CID 22520325

IUPAC2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1ccn(-c2ccccc2)c(=O)c1=O
InChIInChI=1S/C21H21N3O3/c1-3-16-9-7-8-15(2)19(16)22-18(25)14-23-12-13-24(21(27)20(23)26)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyANQNVWLOFPJELV-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.51
Rot. Bonds5

About 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 22520325) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID22520325
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1ccn(-c2ccccc2)c(=O)c1=O
InChIInChI=1S/C21H21N3O3/c1-3-16-9-7-8-15(2)19(16)22-18(25)14-23-12-13-24(21(27)20(23)26)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyANQNVWLOFPJELV-UHFFFAOYSA-N
XLogP2.51
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928759
1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323747
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100734953
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50928860
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100736482
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 22520325) is 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)Cn1ccn(-c2ccccc2)c(=O)c1=O.
What is the InChIKey of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is ANQNVWLOFPJELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-16-9-7-8-15(2)19(16)22-18(25)14-23-12-13-24(21(27)20(23)26)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 22520325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).