[2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C23H24N2O5 — CID 4782001

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H24N2O5/c1-3-16-4-10-20(11-5-16)25-13-18(12-22(25)28)23(29)30-14-21(27)24-19-8-6-17(7-9-19)15(2)26/h4-11,18H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyXJLCZDIMRDFYFX-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.99
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 4782001) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID4782001
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H24N2O5/c1-3-16-4-10-20(11-5-16)25-13-18(12-22(25)28)23(29)30-14-21(27)24-19-8-6-17(7-9-19)15(2)26/h4-11,18H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyXJLCZDIMRDFYFX-UHFFFAOYSA-N
XLogP2.99
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluorophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 3149337
N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 3606911
[2-[4-(Dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 4795120
[2-(4-Acetamidophenyl)-2-oxoethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate
CID 24820052
2-Oxo-2-phenylethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 2926611
Ethyl 1-{4-[(tetrahydrofuran-2-ylcarbonyl)amino]benzoyl}piperidine-4-carboxylate
CID 3238537
N-(4-{[(3-isopropoxypropyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3244061
N-{4-[(3-Ethoxypropyl)carbamoyl]phenyl}oxolane-2-carboxamide
CID 22422955
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2434380

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 4782001) is [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XJLCZDIMRDFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-16-4-10-20(11-5-16)25-13-18(12-22(25)28)23(29)30-14-21(27)24-19-8-6-17(7-9-19)15(2)26/h4-11,18H,3,12-14H2,1-2H3,(H,24,27).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 4782001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).