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

C21H21N3O5 — CID 30564683

IUPAC2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)Nc3cccc(OC)c3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-3-29-17-9-7-16(8-10-17)24-12-11-23(20(26)21(24)27)14-19(25)22-15-5-4-6-18(13-15)28-2/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeySRBJDDJLPPHBOT-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.05
Rot. Bonds7

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

2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 30564683) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID30564683
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)Nc3cccc(OC)c3)c(=O)c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-3-29-17-9-7-16(8-10-17)24-12-11-23(20(26)21(24)27)14-19(25)22-15-5-4-6-18(13-15)28-2/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeySRBJDDJLPPHBOT-UHFFFAOYSA-N
XLogP2.05
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565937
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 50928754
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 51369909
N-(4-ethoxyphenyl)-2-[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]acetamide
CID 20931480
N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928759
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 50928766
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
N-(2-bromo-4-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 30564683) is 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide is CCOc1ccc(-n2ccn(CC(=O)Nc3cccc(OC)c3)c(=O)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is SRBJDDJLPPHBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-29-17-9-7-16(8-10-17)24-12-11-23(20(26)21(24)27)14-19(25)22-15-5-4-6-18(13-15)28-2/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 30564683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).