5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide

C13H16N2O2 — CID 173096782

IUPAC5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)cc(C(N)=O)n2CCO
InChIInChI=1S/C13H16N2O2/c1-2-9-3-4-11-10(7-9)8-12(13(14)17)15(11)5-6-16/h3-4,7-8,16H,2,5-6H2,1H3,(H2,14,17)
InChIKeyZOLQSDBNMAGCOY-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.29
Rot. Bonds4

About 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide

5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide (PubChem CID 173096782) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide
PubChem CID173096782
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)cc(C(N)=O)n2CCO
InChIInChI=1S/C13H16N2O2/c1-2-9-3-4-11-10(7-9)8-12(13(14)17)15(11)5-6-16/h3-4,7-8,16H,2,5-6H2,1H3,(H2,14,17)
InChIKeyZOLQSDBNMAGCOY-UHFFFAOYSA-N
XLogP1.29
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide?
The IUPAC name of 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide (CID 173096782) is 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide.
What is the SMILES notation for 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide?
The canonical SMILES for 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide is CCc1ccc2c(c1)cc(C(N)=O)n2CCO.
What is the InChIKey of 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide?
The InChIKey is ZOLQSDBNMAGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-9-3-4-11-10(7-9)8-12(13(14)17)15(11)5-6-16/h3-4,7-8,16H,2,5-6H2,1H3,(H2,14,17).
What are the key properties of 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide?
5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide is sourced from PubChem (CID 173096782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).