1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide

C24H29N3O3 — CID 43009821

IUPAC1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C24H29N3O3/c1-5-18-6-8-20(9-7-18)27-14-19(12-22(27)29)24(30)25-13-21(28)26-23-16(3)10-15(2)11-17(23)4/h6-11,19H,5,12-14H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyCGHQMICTKHBYRO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.28
Rot. Bonds6

About 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide

1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 43009821) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
PubChem CID43009821
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C24H29N3O3/c1-5-18-6-8-20(9-7-18)27-14-19(12-22(27)29)24(30)25-13-21(28)26-23-16(3)10-15(2)11-17(23)4/h6-11,19H,5,12-14H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyCGHQMICTKHBYRO-UHFFFAOYSA-N
XLogP3.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 46795514
N-[2-(4-chloroanilino)-2-oxoethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60570940
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 27782863
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 40847514
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3R)-N-benzyl-5-oxo-1-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 41020383
(3R)-N-(2-methylpropyl)-5-oxo-1-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 124631374
(3R)-1-(3,5-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005233
(3S)-N-methyl-5-oxo-1-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 7477579
(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide (CID 43009821) is 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is CGHQMICTKHBYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-18-6-8-20(9-7-18)27-14-19(12-22(27)29)24(30)25-13-21(28)26-23-16(3)10-15(2)11-17(23)4/h6-11,19H,5,12-14H2,1-4H3,(H,25,30)(H,26,28).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).