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

C23H25N3O5 — CID 51369909

IUPAC2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)NC(C)c3cccc(OC)c3)c(=O)c2=O)cc1
InChIInChI=1S/C23H25N3O5/c1-4-31-19-10-8-18(9-11-19)26-13-12-25(22(28)23(26)29)15-21(27)24-16(2)17-6-5-7-20(14-17)30-3/h5-14,16H,4,15H2,1-3H3,(H,24,27)
InChIKeyCCXMHMYYGKAVHJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.28
Rot. Bonds8

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

2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 51369909) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
PubChem CID51369909
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)NC(C)c3cccc(OC)c3)c(=O)c2=O)cc1
InChIInChI=1S/C23H25N3O5/c1-4-31-19-10-8-18(9-11-19)26-13-12-25(22(28)23(26)29)15-21(27)24-16(2)17-6-5-7-20(14-17)30-3/h5-14,16H,4,15H2,1-3H3,(H,24,27)
InChIKeyCCXMHMYYGKAVHJ-UHFFFAOYSA-N
XLogP2.28
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.28
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

2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 50928754
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one
CID 91052366
N-(4-ethoxyphenyl)-2-[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]acetamide
CID 20931480
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide (CID 51369909) is 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide is CCOc1ccc(-n2ccn(CC(=O)NC(C)c3cccc(OC)c3)c(=O)c2=O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is CCXMHMYYGKAVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-31-19-10-8-18(9-11-19)26-13-12-25(22(28)23(26)29)15-21(27)24-16(2)17-6-5-7-20(14-17)30-3/h5-14,16H,4,15H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 2.28, 8 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-[1-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 51369909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).