3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide

C13H16N2O3 — CID 14020208

IUPAC3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1[nH]c2ccc(OC)cc2c1CCO
InChIInChI=1S/C13H16N2O3/c1-14-13(17)12-9(5-6-16)10-7-8(18-2)3-4-11(10)15-12/h3-4,7,15-16H,5-6H2,1-2H3,(H,14,17)
InChIKeyZWURMOUTPUWYFC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.07
Rot. Bonds4

About 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide

3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 14020208) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID14020208
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1[nH]c2ccc(OC)cc2c1CCO
InChIInChI=1S/C13H16N2O3/c1-14-13(17)12-9(5-6-16)10-7-8(18-2)3-4-11(10)15-12/h3-4,7,15-16H,5-6H2,1-2H3,(H,14,17)
InChIKeyZWURMOUTPUWYFC-UHFFFAOYSA-N
XLogP1.07
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 118248881
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
3-[(2-ethylbutanoylamino)methyl]-5-methoxy-1H-indole-2-carboxylic acid
CID 94949022
ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036
5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid
CID 118071490
3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
CID 112756295
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide (CID 14020208) is 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1[nH]c2ccc(OC)cc2c1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is ZWURMOUTPUWYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-13(17)12-9(5-6-16)10-7-8(18-2)3-4-11(10)15-12/h3-4,7,15-16H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 14020208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).