2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide

C21H21N3O4 — CID 18591691

IUPAC2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-14-10-15(2)12-17(11-14)24-9-8-23(20(26)21(24)27)13-19(25)22-16-4-6-18(28-3)7-5-16/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyHDSIKKUZOKYCFR-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.26
Rot. Bonds5

About 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 18591691) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID18591691
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-14-10-15(2)12-17(11-14)24-9-8-23(20(26)21(24)27)13-19(25)22-16-4-6-18(28-3)7-5-16/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyHDSIKKUZOKYCFR-UHFFFAOYSA-N
XLogP2.26
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.26
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-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
N-(2,4-dimethoxyphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591689
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
N-(2,4-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520414
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
N-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]acetamide
CID 20931472
N-(4-ethoxyphenyl)-2-[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]acetamide
CID 20931480
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22520390
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 18591691) is 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)cc1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is HDSIKKUZOKYCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-10-15(2)12-17(11-14)24-9-8-23(20(26)21(24)27)13-19(25)22-16-4-6-18(28-3)7-5-16/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18591691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).