N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide

C17H23N3O3 — CID 111115882

IUPACN-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-3-12(4-2)15(21)9-19-16(22)11-20-14-8-6-5-7-13(14)18-10-17(20)23/h5-8,10,12,15,21H,3-4,9,11H2,1-2H3,(H,19,22)
InChIKeyXYTUFROMBFMSRS-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.31
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide

N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 111115882) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID111115882
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-3-12(4-2)15(21)9-19-16(22)11-20-14-8-6-5-7-13(14)18-10-17(20)23/h5-8,10,12,15,21H,3-4,9,11H2,1-2H3,(H,19,22)
InChIKeyXYTUFROMBFMSRS-UHFFFAOYSA-N
XLogP1.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111119852
N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 97019470
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 27332914
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111115969
N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31591027
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate
CID 31838969
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide (CID 111115882) is N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide is CCC(CC)C(O)CNC(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is XYTUFROMBFMSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-12(4-2)15(21)9-19-16(22)11-20-14-8-6-5-7-13(14)18-10-17(20)23/h5-8,10,12,15,21H,3-4,9,11H2,1-2H3,(H,19,22).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 111115882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).