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

C21H22N2O4 — CID 9416104

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N2O4/c24-19(15-27-21(26)13-8-16-5-2-1-3-6-16)22-17-9-11-18(12-10-17)23-14-4-7-20(23)25/h1-3,5-6,9-12H,4,7-8,13-15H2,(H,22,24)
InChIKeyJATIQSUHQZKXEQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.93
Rot. Bonds7

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

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate (PubChem CID 9416104) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
PubChem CID9416104
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N2O4/c24-19(15-27-21(26)13-8-16-5-2-1-3-6-16)22-17-9-11-18(12-10-17)23-14-4-7-20(23)25/h1-3,5-6,9-12H,4,7-8,13-15H2,(H,22,24)
InChIKeyJATIQSUHQZKXEQ-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
CID 8925181
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-thiophen-2-ylpropanoate
CID 8601952
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
CID 9416191
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8654014
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
2-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]benzamide
CID 27696328
2-(2-bromophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8603256
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]-N-phenylbenzamide
CID 17419102

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate (CID 9416104) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate is O=C(COC(=O)CCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate?
The InChIKey is JATIQSUHQZKXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(15-27-21(26)13-8-16-5-2-1-3-6-16)22-17-9-11-18(12-10-17)23-14-4-7-20(23)25/h1-3,5-6,9-12H,4,7-8,13-15H2,(H,22,24).
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate has a molecular weight of 366.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate is sourced from PubChem (CID 9416104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).