[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C21H22N2O3 — CID 7664683

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2O3/c1-3-15-8-6-7-14(2)21(15)23-19(24)13-26-20(25)11-16-12-22-18-10-5-4-9-17(16)18/h4-10,12,22H,3,11,13H2,1-2H3,(H,23,24)
InChIKeyBKKIKLMGHDDYKF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.76
Rot. Bonds6

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7664683) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7664683
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2O3/c1-3-15-8-6-7-14(2)21(15)23-19(24)13-26-20(25)11-16-12-22-18-10-5-4-9-17(16)18/h4-10,12,22H,3,11,13H2,1-2H3,(H,23,24)
InChIKeyBKKIKLMGHDDYKF-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7664683) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CCc1cccc(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is BKKIKLMGHDDYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-15-8-6-7-14(2)21(15)23-19(24)13-26-20(25)11-16-12-22-18-10-5-4-9-17(16)18/h4-10,12,22H,3,11,13H2,1-2H3,(H,23,24).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 350.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7664683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).