N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide

C16H21N3O3 — CID 110396403

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-3-11(4-2)14(20)17-9-10-19-13-8-6-5-7-12(13)18-15(21)16(19)22/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDZWVGZMTAVBZMP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide (PubChem CID 110396403) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
PubChem CID110396403
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-3-11(4-2)14(20)17-9-10-19-13-8-6-5-7-12(13)18-15(21)16(19)22/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDZWVGZMTAVBZMP-UHFFFAOYSA-N
XLogP1.24
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methylbenzamide
CID 110396409
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450
2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 110396413
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
CID 110396408
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
CID 110396405
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 71705470
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484
3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
CID 163261574

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide (CID 110396403) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide?
The InChIKey is DZWVGZMTAVBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-11(4-2)14(20)17-9-10-19-13-8-6-5-7-12(13)18-15(21)16(19)22/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide has a molecular weight of 303.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 110396403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).