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

C23H25N3O3 — CID 95917583

IUPACN-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1ccn(-c2cc(C)cc(C)c2)c(=O)c1=O
InChIInChI=1S/C23H25N3O3/c1-4-24(15-19-8-6-5-7-9-19)21(27)16-25-10-11-26(23(29)22(25)28)20-13-17(2)12-18(3)14-20/h5-14H,4,15-16H2,1-3H3
InChIKeyGHZDNAWURFGURX-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.66
Rot. Bonds6

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

N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide (PubChem CID 95917583) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
PubChem CID95917583
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1ccn(-c2cc(C)cc(C)c2)c(=O)c1=O
InChIInChI=1S/C23H25N3O3/c1-4-24(15-19-8-6-5-7-9-19)21(27)16-25-10-11-26(23(29)22(25)28)20-13-17(2)12-18(3)14-20/h5-14H,4,15-16H2,1-3H3
InChIKeyGHZDNAWURFGURX-UHFFFAOYSA-N
XLogP2.66
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512
2-(5-amino-2-oxo-1-pyridinyl)-N-benzyl-N-ethylacetamide
CID 62816164
N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 53024007
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 112788534
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
CID 113153950
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 55304749
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-2-(6-hydroxy-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 177088797
ethyl 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651678
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide (CID 95917583) is N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1ccn(-c2cc(C)cc(C)c2)c(=O)c1=O.
What is the InChIKey of N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide?
The InChIKey is GHZDNAWURFGURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-24(15-19-8-6-5-7-9-19)21(27)16-25-10-11-26(23(29)22(25)28)20-13-17(2)12-18(3)14-20/h5-14H,4,15-16H2,1-3H3.
What are the key properties of N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide?
N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide has a molecular weight of 391.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 95917583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).