[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate

C23H20N2O7 — CID 55469981

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc2ccc(=O)oc2c1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C23H20N2O7/c26-20(24-17-4-1-2-5-18(17)25-11-3-6-21(25)27)13-31-23(29)14-30-16-9-7-15-8-10-22(28)32-19(15)12-16/h1-2,4-5,7-10,12H,3,6,11,13-14H2,(H,24,26)
InChIKeyUIARIAILBIQJMM-UHFFFAOYSA-N
MW436.42 g/mol
LogP2.48
Rot. Bonds7

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate (PubChem CID 55469981) has the molecular formula C23H20N2O7 and a molecular weight of 436.42 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
PubChem CID55469981
Molecular FormulaC23H20N2O7
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc2ccc(=O)oc2c1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C23H20N2O7/c26-20(24-17-4-1-2-5-18(17)25-11-3-6-21(25)27)13-31-23(29)14-30-16-9-7-15-8-10-22(28)32-19(15)12-16/h1-2,4-5,7-10,12H,3,6,11,13-14H2,(H,24,26)
InChIKeyUIARIAILBIQJMM-UHFFFAOYSA-N
XLogP2.48
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-ethylphenoxy)acetate
CID 55468169
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 46808974
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42967063
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42976501
[2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55468723
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate
CID 42124134
2-(2-aminoethoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79473885
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate (CID 55469981) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate is O=C(COC(=O)COc1ccc2ccc(=O)oc2c1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The InChIKey is UIARIAILBIQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7/c26-20(24-17-4-1-2-5-18(17)25-11-3-6-21(25)27)13-31-23(29)14-30-16-9-7-15-8-10-22(28)32-19(15)12-16/h1-2,4-5,7-10,12H,3,6,11,13-14H2,(H,24,26).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate has a molecular weight of 436.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 55469981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).