N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide

C23H26N4O2 — CID 110306222

IUPACN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-5-27(6-2)23(29)21(17-10-8-7-9-11-17)26-22(28)18-12-13-19-20(14-18)25-16(4)15(3)24-19/h7-14,21H,5-6H2,1-4H3,(H,26,28)/t21-/m0/s1
InChIKeyPCOYASXRFUZADG-NRFANRHFSA-N
MW390.49 g/mol
LogP3.59
Rot. Bonds6

About N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110306222) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110306222
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-5-27(6-2)23(29)21(17-10-8-7-9-11-17)26-22(28)18-12-13-19-20(14-18)25-16(4)15(3)24-19/h7-14,21H,5-6H2,1-4H3,(H,26,28)/t21-/m0/s1
InChIKeyPCOYASXRFUZADG-NRFANRHFSA-N
XLogP3.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 142776250
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722084
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
N-[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 97338063
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110306227
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 110287067
ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
CID 110287113
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
CID 110287066
N-[2-[butyl(ethyl)amino]-2-oxo-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 154281432
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110306222) is N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide is CCN(CC)C(=O)[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is PCOYASXRFUZADG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-27(6-2)23(29)21(17-10-8-7-9-11-17)26-22(28)18-12-13-19-20(14-18)25-16(4)15(3)24-19/h7-14,21H,5-6H2,1-4H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110306222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).