[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C21H19NO5 — CID 2128178

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)N3CCc4ccccc43)coc2c1
InChIInChI=1S/C21H19NO5/c1-25-16-6-7-17-15(12-26-19(17)11-16)10-21(24)27-13-20(23)22-9-8-14-4-2-3-5-18(14)22/h2-7,11-12H,8-10,13H2,1H3
InChIKeyGMRYEXIYOQXJJS-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.12
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2128178) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2128178
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)N3CCc4ccccc43)coc2c1
InChIInChI=1S/C21H19NO5/c1-25-16-6-7-17-15(12-26-19(17)11-16)10-21(24)27-13-20(23)22-9-8-14-4-2-3-5-18(14)22/h2-7,11-12H,8-10,13H2,1H3
InChIKeyGMRYEXIYOQXJJS-UHFFFAOYSA-N
XLogP3.12
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.12
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-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2128178) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)N3CCc4ccccc43)coc2c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is GMRYEXIYOQXJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-16-6-7-17-15(12-26-19(17)11-16)10-21(24)27-13-20(23)22-9-8-14-4-2-3-5-18(14)22/h2-7,11-12H,8-10,13H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 365.39 g/mol, XLogP of 3.12, 5 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-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2128178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).