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

C22H23N3O3 — CID 18591694

IUPACN-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)c1
InChIInChI=1S/C22H23N3O3/c1-14-7-15(2)10-18(9-14)23-20(26)13-24-5-6-25(22(28)21(24)27)19-11-16(3)8-17(4)12-19/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyWVTIIMMDYORDSX-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.87
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 18591694) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID18591694
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)c1
InChIInChI=1S/C22H23N3O3/c1-14-7-15(2)10-18(9-14)23-20(26)13-24-5-6-25(22(28)21(24)27)19-11-16(3)8-17(4)12-19/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyWVTIIMMDYORDSX-UHFFFAOYSA-N
XLogP2.87
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95917582
N-(2,4-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520414
N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906485
N-(2,4-dimethoxyphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591689
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
CID 7286900
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22520390
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
CID 46395161
N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 71821580

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 18591694) is N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is WVTIIMMDYORDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-7-15(2)10-18(9-14)23-20(26)13-24-5-6-25(22(28)21(24)27)19-11-16(3)8-17(4)12-19/h5-12H,13H2,1-4H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 18591694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).