2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide

C15H19N3O — CID 110672201

IUPAC2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1ccc2nccnc2c1
InChIInChI=1S/C15H19N3O/c1-3-12(4-2)15(19)18-10-11-5-6-13-14(9-11)17-8-7-16-13/h5-9,12H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyKRNAEUALSRZDRD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.68
Rot. Bonds5

About 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide

2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide (PubChem CID 110672201) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
PubChem CID110672201
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1ccc2nccnc2c1
InChIInChI=1S/C15H19N3O/c1-3-12(4-2)15(19)18-10-11-5-6-13-14(9-11)17-8-7-16-13/h5-9,12H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyKRNAEUALSRZDRD-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
methyl 4-oxo-4-(quinoxalin-6-ylmethylamino)butanoate
CID 110672198
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide (CID 110672201) is 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide is CCC(CC)C(=O)NCc1ccc2nccnc2c1.
What is the InChIKey of 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide?
The InChIKey is KRNAEUALSRZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-12(4-2)15(19)18-10-11-5-6-13-14(9-11)17-8-7-16-13/h5-9,12H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide?
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide has a molecular weight of 257.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide is sourced from PubChem (CID 110672201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).