2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide

C13H14N2O3 — CID 59170340

IUPAC2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1cccc2[nH]c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C13H14N2O3/c1-3-18-9-6-4-5-8-11(9)10(7(2)15-8)12(16)13(14)17/h4-6,15H,3H2,1-2H3,(H2,14,17)
InChIKeyJNQDCHOYEGOYJR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide

2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 59170340) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID59170340
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1cccc2[nH]c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C13H14N2O3/c1-3-18-9-6-4-5-8-11(9)10(7(2)15-8)12(16)13(14)17/h4-6,15H,3H2,1-2H3,(H2,14,17)
InChIKeyJNQDCHOYEGOYJR-UHFFFAOYSA-N
XLogP1.54
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 59170340) is 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide is CCOc1cccc2[nH]c(C)c(C(=O)C(N)=O)c12.
What is the InChIKey of 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is JNQDCHOYEGOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-9-6-4-5-8-11(9)10(7(2)15-8)12(16)13(14)17/h4-6,15H,3H2,1-2H3,(H2,14,17).
What are the key properties of 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide?
2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 246.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 59170340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).