N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide

C21H23ClN4O3 — CID 9166583

IUPACN-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C21H23ClN4O3/c1-21(2)20(29)24-16-6-4-5-7-17(16)26(21)19(28)13-25(3)12-18(27)23-15-10-8-14(22)9-11-15/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,29)
InChIKeyUUFUOLDYARDSCA-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.97
Rot. Bonds5

About N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide

N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9166583) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
PubChem CID9166583
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C21H23ClN4O3/c1-21(2)20(29)24-16-6-4-5-7-17(16)26(21)19(28)13-25(3)12-18(27)23-15-10-8-14(22)9-11-15/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,29)
InChIKeyUUFUOLDYARDSCA-UHFFFAOYSA-N
XLogP2.97
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221828
N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9053493
4-[2-(2,6-dichlorophenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7466995
4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 78825683
4-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 16609221
ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8799774
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 16540395
4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 24616665
4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 9307521
4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8579883
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide (CID 9166583) is N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is UUFUOLDYARDSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-21(2)20(29)24-16-6-4-5-7-17(16)26(21)19(28)13-25(3)12-18(27)23-15-10-8-14(22)9-11-15/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,29).
What are the key properties of N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 414.89 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9166583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).