2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide

C13H16N2O3 — CID 108526757

IUPAC2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
SMILESCN(CCO)C(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-14(8-9-16)12(17)13(18)15-7-6-10-4-2-3-5-11(10)15/h2-5,16H,6-9H2,1H3
InChIKeyYVRQPXLFLZQGKF-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.03
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide

2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide (PubChem CID 108526757) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
PubChem CID108526757
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
SMILESCN(CCO)C(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-14(8-9-16)12(17)13(18)15-7-6-10-4-2-3-5-11(10)15/h2-5,16H,6-9H2,1H3
InChIKeyYVRQPXLFLZQGKF-UHFFFAOYSA-N
XLogP0.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108525186
2-(2,3-dihydroindol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108521001
N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531260
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-[2-hydroxyethyl(methyl)amino]prop-2-enenitrile
CID 108834866
N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108525488
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112824450

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide (CID 108526757) is 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide is CN(CCO)C(=O)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide?
The InChIKey is YVRQPXLFLZQGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14(8-9-16)12(17)13(18)15-7-6-10-4-2-3-5-11(10)15/h2-5,16H,6-9H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide?
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide has a molecular weight of 248.28 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 108526757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).