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

C19H14N2O4 — CID 3483755

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N2O4/c20-9-13-5-1-4-8-18(13)24-12-19(23)25-11-17(22)15-10-21-16-7-3-2-6-14(15)16/h1-8,10,21H,11-12H2
InChIKeyGIKDTDJMINGYGS-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.84
Rot. Bonds6

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 3483755) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID3483755
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N2O4/c20-9-13-5-1-4-8-18(13)24-12-19(23)25-11-17(22)15-10-21-16-7-3-2-6-14(15)16/h1-8,10,21H,11-12H2
InChIKeyGIKDTDJMINGYGS-UHFFFAOYSA-N
XLogP2.84
TPSA92.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 3483755) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is GIKDTDJMINGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c20-9-13-5-1-4-8-18(13)24-12-19(23)25-11-17(22)15-10-21-16-7-3-2-6-14(15)16/h1-8,10,21H,11-12H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 334.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 3483755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).