2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C23H25N3O4 — CID 50928860

IUPAC2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCOc1ccccc1-n1ccn(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c1=O
InChIInChI=1S/C23H25N3O4/c1-5-30-19-9-7-6-8-18(19)26-11-10-25(22(28)23(26)29)14-20(27)24-21-16(3)12-15(2)13-17(21)4/h6-13H,5,14H2,1-4H3,(H,24,27)
InChIKeyOESROIKSDIBKGB-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 50928860) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID50928860
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCOc1ccccc1-n1ccn(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c1=O
InChIInChI=1S/C23H25N3O4/c1-5-30-19-9-7-6-8-18(19)26-11-10-25(22(28)23(26)29)14-20(27)24-21-16(3)12-15(2)13-17(21)4/h6-13H,5,14H2,1-4H3,(H,24,27)
InChIKeyOESROIKSDIBKGB-UHFFFAOYSA-N
XLogP2.96
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.96
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

N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565945
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928878
N-butyl-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917475
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 50928871
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928759
N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928843
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 22520305
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 22520325

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 50928860) is 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is CCOc1ccccc1-n1ccn(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c1=O.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is OESROIKSDIBKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-5-30-19-9-7-6-8-18(19)26-11-10-25(22(28)23(26)29)14-20(27)24-21-16(3)12-15(2)13-17(21)4/h6-13H,5,14H2,1-4H3,(H,24,27).
What are the key properties of 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 50928860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).