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

C22H23NO5 — CID 24980371

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C22H23NO5/c1-3-20(24)16-8-10-18(11-9-16)27-14-22(26)28-13-21(25)23-15(2)12-17-6-4-5-7-19(17)23/h4-11,15H,3,12-14H2,1-2H3
InChIKeyZVSRFMMFBVNLJJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.18
Rot. Bonds7

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

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 24980371) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID24980371
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C22H23NO5/c1-3-20(24)16-8-10-18(11-9-16)27-14-22(26)28-13-21(25)23-15(2)12-17-6-4-5-7-19(17)23/h4-11,15H,3,12-14H2,1-2H3
InChIKeyZVSRFMMFBVNLJJ-UHFFFAOYSA-N
XLogP3.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 24980371) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is ZVSRFMMFBVNLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-20(24)16-8-10-18(11-9-16)27-14-22(26)28-13-21(25)23-15(2)12-17-6-4-5-7-19(17)23/h4-11,15H,3,12-14H2,1-2H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 381.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 24980371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).