N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide

C16H22N4O3 — CID 9433179

IUPACN-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H22N4O3/c1-3-17-14(21)9-19(4-2)11-16(23)20-10-15(22)18-12-7-5-6-8-13(12)20/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyBIOSQNWJECBIQS-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.43
Rot. Bonds6

About N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide

N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide (PubChem CID 9433179) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide
PubChem CID9433179
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H22N4O3/c1-3-17-14(21)9-19(4-2)11-16(23)20-10-15(22)18-12-7-5-6-8-13(12)20/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyBIOSQNWJECBIQS-UHFFFAOYSA-N
XLogP0.43
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8718340
4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9349298
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655
N-ethyl-2-[ethyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]amino]acetamide
CID 9433407
2-[ethyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 46614321
2-[ethyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8792857
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide (CID 9433179) is N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide is CCNC(=O)CN(CC)CC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide?
The InChIKey is BIOSQNWJECBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-17-14(21)9-19(4-2)11-16(23)20-10-15(22)18-12-7-5-6-8-13(12)20/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide?
N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide is sourced from PubChem (CID 9433179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).