[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C20H20N2O3 — CID 7665948

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-2-14-7-9-16(10-8-14)22-19(23)13-25-20(24)11-15-12-21-18-6-4-3-5-17(15)18/h3-10,12,21H,2,11,13H2,1H3,(H,22,23)
InChIKeyJITBPXNOEDRRLF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.45
Rot. Bonds6

About [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7665948) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7665948
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-2-14-7-9-16(10-8-14)22-19(23)13-25-20(24)11-15-12-21-18-6-4-3-5-17(15)18/h3-10,12,21H,2,11,13H2,1H3,(H,22,23)
InChIKeyJITBPXNOEDRRLF-UHFFFAOYSA-N
XLogP3.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573480
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017699
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664683
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 3422352
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7665948) is [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CCc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is JITBPXNOEDRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-14-7-9-16(10-8-14)22-19(23)13-25-20(24)11-15-12-21-18-6-4-3-5-17(15)18/h3-10,12,21H,2,11,13H2,1H3,(H,22,23).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 336.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7665948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).