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

C23H26N2O4 — CID 8925181

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
SMILESCCc1ccc(CCC(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-17-5-7-18(8-6-17)9-14-23(28)29-16-21(26)24-19-10-12-20(13-11-19)25-15-3-4-22(25)27/h5-8,10-13H,2-4,9,14-16H2,1H3,(H,24,26)
InChIKeyIWJVNARBZIEROG-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.49
Rot. Bonds8

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

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate (PubChem CID 8925181) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
PubChem CID8925181
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
SMILESCCc1ccc(CCC(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-17-5-7-18(8-6-17)9-14-23(28)29-16-21(26)24-19-10-12-20(13-11-19)25-15-3-4-22(25)27/h5-8,10-13H,2-4,9,14-16H2,1H3,(H,24,26)
InChIKeyIWJVNARBZIEROG-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.49
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-phenylpropanoate
CID 9416104
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-thiophen-2-ylpropanoate
CID 8601952
2-ethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687285
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
CID 9416191
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
2-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate (CID 8925181) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate is CCc1ccc(CCC(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate?
The InChIKey is IWJVNARBZIEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-17-5-7-18(8-6-17)9-14-23(28)29-16-21(26)24-19-10-12-20(13-11-19)25-15-3-4-22(25)27/h5-8,10-13H,2-4,9,14-16H2,1H3,(H,24,26).
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate has a molecular weight of 394.47 g/mol, XLogP of 3.49, 8 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-(4-ethylphenyl)propanoate is sourced from PubChem (CID 8925181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).