N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide

C22H26N4O3 — CID 8789449

IUPACN-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H26N4O3/c1-4-16-9-5-6-10-17(16)23-20(27)13-25(3)15(2)22(29)26-14-21(28)24-18-11-7-8-12-19(18)26/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyKEOHTUDOCTURHS-OAHLLOKOSA-N
MW394.48 g/mol
LogP2.49
Rot. Bonds6

About N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide

N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide (PubChem CID 8789449) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide
PubChem CID8789449
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H26N4O3/c1-4-16-9-5-6-10-17(16)23-20(27)13-25(3)15(2)22(29)26-14-21(28)24-18-11-7-8-12-19(18)26/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyKEOHTUDOCTURHS-OAHLLOKOSA-N
XLogP2.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8680555
4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 124616880
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8814701
4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8845745
4-[(2R)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8789013
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958193
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958195
4-[(2S)-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41154698
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8736189

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide (CID 8789449) is N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide is CCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is KEOHTUDOCTURHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-16-9-5-6-10-17(16)23-20(27)13-25(3)15(2)22(29)26-14-21(28)24-18-11-7-8-12-19(18)26/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,28)/t15-/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide?
N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 8789449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).