N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C12H16N4O2 — CID 104614582

IUPACN-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C12H16N4O2/c1-16(7-11(13)17)12(18)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6,14-15H,4-5,7H2,1H3,(H2,13,17)
InChIKeyAMXMFOOVWRGREK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.08
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614582) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614582
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C12H16N4O2/c1-16(7-11(13)17)12(18)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6,14-15H,4-5,7H2,1H3,(H2,13,17)
InChIKeyAMXMFOOVWRGREK-UHFFFAOYSA-N
XLogP0.08
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 107199978
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 60937969
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614789
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43579067
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614869

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614582) is N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CN(CC(N)=O)C(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is AMXMFOOVWRGREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16(7-11(13)17)12(18)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6,14-15H,4-5,7H2,1H3,(H2,13,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).