[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate

C26H21NO5 — CID 46610663

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(Cc1coc2ccc3ccccc3c12)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C26H21NO5/c28-22(18-7-10-20(11-8-18)27-13-3-6-24(27)29)16-32-25(30)14-19-15-31-23-12-9-17-4-1-2-5-21(17)26(19)23/h1-2,4-5,7-12,15H,3,6,13-14,16H2
InChIKeyJYJIACNZFFALKL-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.68
Rot. Bonds6

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 46610663) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID46610663
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(Cc1coc2ccc3ccccc3c12)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C26H21NO5/c28-22(18-7-10-20(11-8-18)27-13-3-6-24(27)29)16-32-25(30)14-19-15-31-23-12-9-17-4-1-2-5-21(17)26(19)23/h1-2,4-5,7-12,15H,3,6,13-14,16H2
InChIKeyJYJIACNZFFALKL-UHFFFAOYSA-N
XLogP4.68
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
CID 8751695
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8950032
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 8647555
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-thiophen-2-ylpropanoate
CID 8934953
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 8938877
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 8743524
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2-fluorophenyl)acetate
CID 8958198

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 46610663) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate is O=C(Cc1coc2ccc3ccccc3c12)OCC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is JYJIACNZFFALKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c28-22(18-7-10-20(11-8-18)27-13-3-6-24(27)29)16-32-25(30)14-19-15-31-23-12-9-17-4-1-2-5-21(17)26(19)23/h1-2,4-5,7-12,15H,3,6,13-14,16H2.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 427.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 46610663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).