(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate

C18H16N2O3 — CID 2389061

IUPAC(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17(20-14-6-2-1-3-7-14)12-23-18(22)10-13-11-19-16-9-5-4-8-15(13)16/h1-9,11,19H,10,12H2,(H,20,21)
InChIKeyBVGKQXNISGPHHP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.89
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate

(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate (PubChem CID 2389061) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
PubChem CID2389061
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17(20-14-6-2-1-3-7-14)12-23-18(22)10-13-11-19-16-9-5-4-8-15(13)16/h1-9,11,19H,10,12H2,(H,20,21)
InChIKeyBVGKQXNISGPHHP-UHFFFAOYSA-N
XLogP2.89
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664683
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960361
[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
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate (CID 2389061) is (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate is O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate?
The InChIKey is BVGKQXNISGPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(20-14-6-2-1-3-7-14)12-23-18(22)10-13-11-19-16-9-5-4-8-15(13)16/h1-9,11,19H,10,12H2,(H,20,21).
What are the key properties of (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate?
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate has a molecular weight of 308.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 2389061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).