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

C22H23N3O4 — CID 7286929

IUPACN-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1-n1ccn(CC(=O)Nc2cc(C)ccc2C)c(=O)c1=O
InChIInChI=1S/C22H23N3O4/c1-14-5-7-16(3)17(11-14)23-20(26)13-24-9-10-25(22(28)21(24)27)18-12-15(2)6-8-19(18)29-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyUJRSQKGOQRPRTI-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.57
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 7286929) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID7286929
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1-n1ccn(CC(=O)Nc2cc(C)ccc2C)c(=O)c1=O
InChIInChI=1S/C22H23N3O4/c1-14-5-7-16(3)17(11-14)23-20(26)13-24-9-10-25(22(28)21(24)27)18-12-15(2)6-8-19(18)29-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyUJRSQKGOQRPRTI-UHFFFAOYSA-N
XLogP2.57
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.57
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-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51370139
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
N-(2,4-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520414
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
N-(2,4-dimethoxyphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591689
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methylphenyl)acetamide
CID 51370095
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 30849619
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841363
N-(2,5-dimethylphenyl)-2-(5-ethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395562

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 7286929) is N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is COc1ccc(C)cc1-n1ccn(CC(=O)Nc2cc(C)ccc2C)c(=O)c1=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is UJRSQKGOQRPRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-5-7-16(3)17(11-14)23-20(26)13-24-9-10-25(22(28)21(24)27)18-12-15(2)6-8-19(18)29-4/h5-12H,13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 7286929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).