[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate

C22H18N2O6 — CID 8938877

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H18N2O6/c25-18(14-7-9-15(10-8-14)23-11-3-6-19(23)26)13-30-20(27)12-24-17-5-2-1-4-16(17)21(28)22(24)29/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyKAJXDTOSYRAHFK-UHFFFAOYSA-N
MW406.39 g/mol
LogP1.77
Rot. Bonds6

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 8938877) has the molecular formula C22H18N2O6 and a molecular weight of 406.39 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID8938877
Molecular FormulaC22H18N2O6
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H18N2O6/c25-18(14-7-9-15(10-8-14)23-11-3-6-19(23)26)13-30-20(27)12-24-17-5-2-1-4-16(17)21(28)22(24)29/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyKAJXDTOSYRAHFK-UHFFFAOYSA-N
XLogP1.77
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804354
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804306
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8935565
[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] 4-hydroxybenzoate
CID 8647274
[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] 1-benzofuran-2-carboxylate
CID 8751695
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-thiophen-2-ylpropanoate
CID 8934953
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 8938877) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate is O=C(CN1C(=O)C(=O)c2ccccc21)OCC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is KAJXDTOSYRAHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6/c25-18(14-7-9-15(10-8-14)23-11-3-6-19(23)26)13-30-20(27)12-24-17-5-2-1-4-16(17)21(28)22(24)29/h1-2,4-5,7-10H,3,6,11-13H2.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 406.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 8938877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).