2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide

C12H12N2O3 — CID 20976467

IUPAC2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(CCO)c2ccccc12
InChIInChI=1S/C12H12N2O3/c13-12(17)11(16)9-7-14(5-6-15)10-4-2-1-3-8(9)10/h1-4,7,15H,5-6H2,(H2,13,17)
InChIKeySGUPHMSFUFJVHK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.30
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide

2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 20976467) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
PubChem CID20976467
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(CCO)c2ccccc12
InChIInChI=1S/C12H12N2O3/c13-12(17)11(16)9-7-14(5-6-15)10-4-2-1-3-8(9)10/h1-4,7,15H,5-6H2,(H2,13,17)
InChIKeySGUPHMSFUFJVHK-UHFFFAOYSA-N
XLogP0.30
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660
2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 5302279
1-[1-[4-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 53248812
1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54580817
[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11580465
1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
CID 173096651
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
4-[1-(3-carboxypropyl)indol-3-yl]-4-oxobutanoic acid
CID 22400520

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide (CID 20976467) is 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide is NC(=O)C(=O)c1cn(CCO)c2ccccc12.
What is the InChIKey of 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is SGUPHMSFUFJVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-12(17)11(16)9-7-14(5-6-15)10-4-2-1-3-8(9)10/h1-4,7,15H,5-6H2,(H2,13,17).
What are the key properties of 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide?
2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 232.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 20976467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).