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

C22H23N3O5 — CID 50928850

IUPACN-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-3-29-17-11-9-16(10-12-17)23-20(26)15-24-13-14-25(22(28)21(24)27)18-7-5-6-8-19(18)30-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,26)
InChIKeyBWAQOXJCAGOBFT-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.44
Rot. Bonds8

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

N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 50928850) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID50928850
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-3-29-17-11-9-16(10-12-17)23-20(26)15-24-13-14-25(22(28)21(24)27)18-7-5-6-8-19(18)30-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,26)
InChIKeyBWAQOXJCAGOBFT-UHFFFAOYSA-N
XLogP2.44
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.44
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-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928878
N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565945
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50928860
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-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 50928836
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 50928871
N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928843
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-(2-propan-2-ylphenyl)acetamide
CID 50928766

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 50928850) is N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is BWAQOXJCAGOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-29-17-11-9-16(10-12-17)23-20(26)15-24-13-14-25(22(28)21(24)27)18-7-5-6-8-19(18)30-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 50928850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).