N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide

C16H21N3O3 — CID 46357080

IUPACN-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(=O)c(=O)n(CC)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-4-11(3)17-14(20)10-19-13-9-7-6-8-12(13)18(5-2)15(21)16(19)22/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyHZFHSCGLEMLGKR-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.10
Rot. Bonds5

About N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide

N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide (PubChem CID 46357080) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
PubChem CID46357080
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(=O)c(=O)n(CC)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-4-11(3)17-14(20)10-19-13-9-7-6-8-12(13)18(5-2)15(21)16(19)22/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyHZFHSCGLEMLGKR-UHFFFAOYSA-N
XLogP1.10
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.10
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

N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061615
2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
CID 46394229
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644
N-[(2S)-butan-2-yl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 92889336
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 95059156
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47060824
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 92884774

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide (CID 46357080) is N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide is CCC(C)NC(=O)Cn1c(=O)c(=O)n(CC)c2ccccc21.
What is the InChIKey of N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The InChIKey is HZFHSCGLEMLGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-11(3)17-14(20)10-19-13-9-7-6-8-12(13)18(5-2)15(21)16(19)22/h6-9,11H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46357080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).