[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate

C20H21NO4 — CID 2121350

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCc1cccc(OCCC(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H21NO4/c1-15-5-4-7-17(13-15)24-12-10-20(23)25-14-19(22)21-11-9-16-6-2-3-8-18(16)21/h2-8,13H,9-12,14H2,1H3
InChIKeyVAFFHBKLVIMFGQ-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.90
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate (PubChem CID 2121350) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
PubChem CID2121350
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCc1cccc(OCCC(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H21NO4/c1-15-5-4-7-17(13-15)24-12-10-20(23)25-14-19(22)21-11-9-16-6-2-3-8-18(16)21/h2-8,13H,9-12,14H2,1H3
InChIKeyVAFFHBKLVIMFGQ-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate 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 [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate (CID 2121350) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate is Cc1cccc(OCCC(=O)OCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The InChIKey is VAFFHBKLVIMFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-15-5-4-7-17(13-15)24-12-10-20(23)25-14-19(22)21-11-9-16-6-2-3-8-18(16)21/h2-8,13H,9-12,14H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate has a molecular weight of 339.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 2121350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).