N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide

C21H21N3O4 — CID 50928796

IUPACN-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCOc1ccccc1-n1ccn(CC(=O)Nc2c(C)cccc2C)c(=O)c1=O
InChIInChI=1S/C21H21N3O4/c1-14-7-6-8-15(2)19(14)22-18(25)13-23-11-12-24(21(27)20(23)26)16-9-4-5-10-17(16)28-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyAAHRVXPBGNABLF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.26
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 50928796) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID50928796
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCOc1ccccc1-n1ccn(CC(=O)Nc2c(C)cccc2C)c(=O)c1=O
InChIInChI=1S/C21H21N3O4/c1-14-7-6-8-15(2)19(14)22-18(25)13-23-11-12-24(21(27)20(23)26)16-9-4-5-10-17(16)28-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyAAHRVXPBGNABLF-UHFFFAOYSA-N
XLogP2.26
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.26
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-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50928860
2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 50928836
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 22520325
N-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 7286929
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
2-[4-(2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30565603
N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565945
N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928843
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methylphenyl)acetamide
CID 51370095

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 50928796) is N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is COc1ccccc1-n1ccn(CC(=O)Nc2c(C)cccc2C)c(=O)c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is AAHRVXPBGNABLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-7-6-8-15(2)19(14)22-18(25)13-23-11-12-24(21(27)20(23)26)16-9-4-5-10-17(16)28-3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 50928796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).