[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate

C21H22N2O4 — CID 5207404

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-15(24)22-18(16-7-3-2-4-8-16)13-21(26)27-14-20(25)23-12-11-17-9-5-6-10-19(17)23/h2-10,18H,11-14H2,1H3,(H,22,24)
InChIKeyQFCLHOALEKCJGL-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.39
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate (PubChem CID 5207404) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
PubChem CID5207404
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-15(24)22-18(16-7-3-2-4-8-16)13-21(26)27-14-20(25)23-12-11-17-9-5-6-10-19(17)23/h2-10,18H,11-14H2,1H3,(H,22,24)
InChIKeyQFCLHOALEKCJGL-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate 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-acetamido-3-phenylpropanoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate (CID 5207404) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate is CC(=O)NC(CC(=O)OCC(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate?
The InChIKey is QFCLHOALEKCJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15(24)22-18(16-7-3-2-4-8-16)13-21(26)27-14-20(25)23-12-11-17-9-5-6-10-19(17)23/h2-10,18H,11-14H2,1H3,(H,22,24).
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate has a molecular weight of 366.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 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-acetamido-3-phenylpropanoate is sourced from PubChem (CID 5207404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).