N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide

C17H23N3O3 — CID 50815586

IUPACN-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1c(=O)c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-12(2)8-10-18-15(21)9-11-20-14-7-5-4-6-13(14)19(3)16(22)17(20)23/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyHYSVLBIZCHEZRA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.25
Rot. Bonds6

About N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide

N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide (PubChem CID 50815586) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
PubChem CID50815586
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1c(=O)c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-12(2)8-10-18-15(21)9-11-20-14-7-5-4-6-13(14)19(3)16(22)17(20)23/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyHYSVLBIZCHEZRA-UHFFFAOYSA-N
XLogP1.25
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.25
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

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 46375691
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815798
N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815571
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 120828699
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 80539147
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide (CID 50815586) is N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide is CC(C)CCNC(=O)CCn1c(=O)c(=O)n(C)c2ccccc21.
What is the InChIKey of N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
The InChIKey is HYSVLBIZCHEZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)8-10-18-15(21)9-11-20-14-7-5-4-6-13(14)19(3)16(22)17(20)23/h4-7,12H,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 50815586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).