[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C21H19NO4 — CID 2999656

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12
InChIInChI=1S/C21H19NO4/c1-13-11-15-7-3-5-9-17(15)22(13)19(23)12-25-21(24)20-14(2)16-8-4-6-10-18(16)26-20/h3-10,13H,11-12H2,1-2H3
InChIKeyGLKGEMMZASMFRM-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.88
Rot. Bonds3

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2999656) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2999656
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12
InChIInChI=1S/C21H19NO4/c1-13-11-15-7-3-5-9-17(15)22(13)19(23)12-25-21(24)20-14(2)16-8-4-6-10-18(16)26-20/h3-10,13H,11-12H2,1-2H3
InChIKeyGLKGEMMZASMFRM-UHFFFAOYSA-N
XLogP3.88
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 2999656) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is GLKGEMMZASMFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-13-11-15-7-3-5-9-17(15)22(13)19(23)12-25-21(24)20-14(2)16-8-4-6-10-18(16)26-20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2999656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).