[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C21H21NO5 — CID 7855158

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H21NO5/c1-2-19(23)16-7-9-17(10-8-16)26-14-21(25)27-13-20(24)22-12-11-15-5-3-4-6-18(15)22/h3-10H,2,11-14H2,1H3
InChIKeyIBYOLFYTYPIJME-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.79
Rot. Bonds7

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 7855158) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID7855158
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H21NO5/c1-2-19(23)16-7-9-17(10-8-16)26-14-21(25)27-13-20(24)22-12-11-15-5-3-4-6-18(15)22/h3-10H,2,11-14H2,1H3
InChIKeyIBYOLFYTYPIJME-UHFFFAOYSA-N
XLogP2.79
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 7855158) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is IBYOLFYTYPIJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-2-19(23)16-7-9-17(10-8-16)26-14-21(25)27-13-20(24)22-12-11-15-5-3-4-6-18(15)22/h3-10H,2,11-14H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 367.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 7855158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).