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

C16H21N3O3 — CID 46357144

IUPACN-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)c(=O)n(CC)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-3-5-10-17-14(20)11-19-13-9-7-6-8-12(13)18(4-2)15(21)16(19)22/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyUFAOGALLVWPDOF-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.10
Rot. Bonds6

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

N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide (PubChem CID 46357144) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
PubChem CID46357144
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)c(=O)n(CC)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-3-5-10-17-14(20)11-19-13-9-7-6-8-12(13)18(4-2)15(21)16(19)22/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyUFAOGALLVWPDOF-UHFFFAOYSA-N
XLogP1.10
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide
CID 46786280
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-butylacetamide
CID 42585859
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[3-(azepan-1-yl)propyl]-2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 22580628
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide (CID 46357144) is N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide is CCCCNC(=O)Cn1c(=O)c(=O)n(CC)c2ccccc21.
What is the InChIKey of N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The InChIKey is UFAOGALLVWPDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-5-10-17-14(20)11-19-13-9-7-6-8-12(13)18(4-2)15(21)16(19)22/h6-9H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide?
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46357144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).