[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate

C22H25NO4 — CID 24686256

IUPAC[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OC(C)C(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C22H25NO4/c1-14-11-15(2)21(16(3)12-14)26-13-20(24)27-17(4)22(25)23-10-9-18-7-5-6-8-19(18)23/h5-8,11-12,17H,9-10,13H2,1-4H3
InChIKeyFSSSZCLIECBVJF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.51
Rot. Bonds5

About [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 24686256) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID24686256
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OC(C)C(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C22H25NO4/c1-14-11-15(2)21(16(3)12-14)26-13-20(24)27-17(4)22(25)23-10-9-18-7-5-6-8-19(18)23/h5-8,11-12,17H,9-10,13H2,1-4H3
InChIKeyFSSSZCLIECBVJF-UHFFFAOYSA-N
XLogP3.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate 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 [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate (CID 24686256) is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate is Cc1cc(C)c(OCC(=O)OC(C)C(=O)N2CCc3ccccc32)c(C)c1.
What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is FSSSZCLIECBVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14-11-15(2)21(16(3)12-14)26-13-20(24)27-17(4)22(25)23-10-9-18-7-5-6-8-19(18)23/h5-8,11-12,17H,9-10,13H2,1-4H3.
What are the key properties of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 367.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 24686256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).