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

C22H23N3O4 — CID 51369913

IUPAC2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)NC(C)c3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-29-19-11-9-18(10-12-19)25-14-13-24(21(27)22(25)28)15-20(26)23-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)
InChIKeyVPZQGZIROVMKTO-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.28
Rot. Bonds7

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

2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 51369913) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID51369913
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)NC(C)c3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-29-19-11-9-18(10-12-19)25-14-13-24(21(27)22(25)28)15-20(26)23-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)
InChIKeyVPZQGZIROVMKTO-UHFFFAOYSA-N
XLogP2.28
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.28
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

2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 51369909
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide
CID 60618424
2-[4-[[4-chloro-1-(4-ethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(1-phenylethyl)acetamide
CID 4614673
N-(4-ethoxyphenyl)-3-oxo-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2H-quinoxaline-1-carboxamide
CID 95075252
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841493
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide (CID 51369913) is 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide is CCOc1ccc(-n2ccn(CC(=O)NC(C)c3ccccc3)c(=O)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is VPZQGZIROVMKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-29-19-11-9-18(10-12-19)25-14-13-24(21(27)22(25)28)15-20(26)23-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 51369913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).