[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate

C21H22N2O4 — CID 55467953

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1C
InChIInChI=1S/C21H22N2O4/c1-14-9-10-16(12-15(14)2)21(26)27-13-19(24)22-17-6-3-4-7-18(17)23-11-5-8-20(23)25/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,22,24)
InChIKeySNJLODKGAUVUAA-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.23
Rot. Bonds5

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate (PubChem CID 55467953) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
PubChem CID55467953
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1C
InChIInChI=1S/C21H22N2O4/c1-14-9-10-16(12-15(14)2)21(26)27-13-19(24)22-17-6-3-4-7-18(17)23-11-5-8-20(23)25/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,22,24)
InChIKeySNJLODKGAUVUAA-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 36708103
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate
CID 42124134
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 46669929
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55836104
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9380048
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
[2-(2-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706159
2-(2-aminoethoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79473885
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 24564830

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate (CID 55467953) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1C.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate?
The InChIKey is SNJLODKGAUVUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-9-10-16(12-15(14)2)21(26)27-13-19(24)22-17-6-3-4-7-18(17)23-11-5-8-20(23)25/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,22,24).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate has a molecular weight of 366.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 55467953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).