N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide

C15H20N4O — CID 133313683

IUPACN-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1nc2ccccc2nc1C
InChIInChI=1S/C15H20N4O/c1-11-15(19(3)10-6-9-16-12(2)20)18-14-8-5-4-7-13(14)17-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,20)
InChIKeyNJMFBHHTFKYGCF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.90
Rot. Bonds5

About N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide

N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide (PubChem CID 133313683) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide
PubChem CID133313683
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1nc2ccccc2nc1C
InChIInChI=1S/C15H20N4O/c1-11-15(19(3)10-6-9-16-12(2)20)18-14-8-5-4-7-13(14)17-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,20)
InChIKeyNJMFBHHTFKYGCF-UHFFFAOYSA-N
XLogP1.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid
CID 62374872
methyl 2-[methyl-(3-methylquinoxalin-2-yl)amino]acetate
CID 62375684
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
CID 133303964
N,3-dimethyl-N-(2-methylprop-2-enyl)quinoxalin-2-amine
CID 133439230
N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
CID 133303906
N-[3-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]propyl]acetamide
CID 133303979
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[3-(3-chloro-N-methylanilino)propyl]acetamide
CID 154166795
N-ethyl-2-[ethyl-(3-methylquinoxalin-2-yl)amino]acetamide
CID 133382747
N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
CID 133303912
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide?
The IUPAC name of N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide (CID 133313683) is N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide is CC(=O)NCCCN(C)c1nc2ccccc2nc1C.
What is the InChIKey of N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide?
The InChIKey is NJMFBHHTFKYGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-15(19(3)10-6-9-16-12(2)20)18-14-8-5-4-7-13(14)17-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,20).
What are the key properties of N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide?
N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 133313683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).