3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one

C13H18N2O2 — CID 114997957

IUPAC3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one
SMILESCCOCCNC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C13H18N2O2/c1-3-17-8-7-14-12-10-6-4-5-9(2)11(10)15-13(12)16/h4-6,12,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyHVBLMAGPXGEJTB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds5

About 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one

3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 114997957) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one
PubChem CID114997957
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one
SMILESCCOCCNC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C13H18N2O2/c1-3-17-8-7-14-12-10-6-4-5-9(2)11(10)15-13(12)16/h4-6,12,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyHVBLMAGPXGEJTB-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one (CID 114997957) is 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one is CCOCCNC1C(=O)Nc2c(C)cccc21.
What is the InChIKey of 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is HVBLMAGPXGEJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-8-7-14-12-10-6-4-5-9(2)11(10)15-13(12)16/h4-6,12,14H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one?
3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114997957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).