[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate

C21H22N2O3 — CID 4802171

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)c1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-14(2)15-7-9-17(10-8-15)23-20(24)13-26-21(25)11-16-12-22-19-6-4-3-5-18(16)19/h3-10,12,14,22H,11,13H2,1-2H3,(H,23,24)
InChIKeyLTFJTDSRYGHPNG-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.02
Rot. Bonds6

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 4802171) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
PubChem CID4802171
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)c1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-14(2)15-7-9-17(10-8-15)23-20(24)13-26-21(25)11-16-12-22-19-6-4-3-5-18(16)19/h3-10,12,14,22H,11,13H2,1-2H3,(H,23,24)
InChIKeyLTFJTDSRYGHPNG-UHFFFAOYSA-N
XLogP4.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960358
[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-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113165203
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2095378
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4853997
2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 143794395

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate (CID 4802171) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate is CC(C)c1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is LTFJTDSRYGHPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(2)15-7-9-17(10-8-15)23-20(24)13-26-21(25)11-16-12-22-19-6-4-3-5-18(16)19/h3-10,12,14,22H,11,13H2,1-2H3,(H,23,24).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 350.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 4802171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).