2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

C21H21N3O3 — CID 6625783

IUPAC2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-16-7-9-17(10-8-16)13-22-19(25)15-24-12-11-23(20(26)21(24)27)14-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyNDENVMGNUMZABF-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.68
Rot. Bonds6

About 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 6625783) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID6625783
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-16-7-9-17(10-8-16)13-22-19(25)15-24-12-11-23(20(26)21(24)27)14-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyNDENVMGNUMZABF-UHFFFAOYSA-N
XLogP1.68
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.68
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-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
2-(3-benzyl-4-oxopyrimido[5,4-b]indol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53025966
5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 53134833
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 95921594
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-phenylacetamide
CID 22520244
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46279705
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30564325
N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890117
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66309191

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 6625783) is 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1.
What is the InChIKey of 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NDENVMGNUMZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-16-7-9-17(10-8-16)13-22-19(25)15-24-12-11-23(20(26)21(24)27)14-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 6625783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).