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

C21H18N2O3 — CID 7664372

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H18N2O3/c1-13-21(16-7-3-5-9-18(16)23-13)19(24)12-26-20(25)10-14-11-22-17-8-4-2-6-15(14)17/h2-9,11,22-23H,10,12H2,1H3
InChIKeyUOLRWFLNHYLUEZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.93
Rot. Bonds5

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

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7664372) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7664372
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H18N2O3/c1-13-21(16-7-3-5-9-18(16)23-13)19(24)12-26-20(25)10-14-11-22-17-8-4-2-6-15(14)17/h2-9,11,22-23H,10,12H2,1H3
InChIKeyUOLRWFLNHYLUEZ-UHFFFAOYSA-N
XLogP3.93
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7664372) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is UOLRWFLNHYLUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-13-21(16-7-3-5-9-18(16)23-13)19(24)12-26-20(25)10-14-11-22-17-8-4-2-6-15(14)17/h2-9,11,22-23H,10,12H2,1H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 346.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7664372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).