[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate

C23H26N2O4 — CID 4803088

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccccc3C(C)C)CC2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-15(2)19-6-4-5-7-20(19)24-21(26)14-29-23(28)17-12-22(27)25(13-17)18-10-8-16(3)9-11-18/h4-11,15,17H,12-14H2,1-3H3,(H,24,26)
InChIKeyWVNHHYWVMJJYQR-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.65
Rot. Bonds6

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 4803088) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID4803088
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccccc3C(C)C)CC2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-15(2)19-6-4-5-7-20(19)24-21(26)14-29-23(28)17-12-22(27)25(13-17)18-10-8-16(3)9-11-18/h4-11,15,17H,12-14H2,1-3H3,(H,24,26)
InChIKeyWVNHHYWVMJJYQR-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524567
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7799027
[2-(2-nitroanilino)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871411
[2-(2,4-dimethylanilino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4858273
[2-(naphthalen-2-ylamino)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871371
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871381
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4803092
[2-(2,3-dichloroanilino)-2-oxoethyl] (3R)-1-[4-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 124580031
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871376
[2-(4-chloro-2-methylanilino)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1411401
[2-(4-methylanilino)-2-oxoethyl] (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 126155499
[2-(2,5-difluoroanilino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4857838

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 4803088) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccc(N2CC(C(=O)OCC(=O)Nc3ccccc3C(C)C)CC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WVNHHYWVMJJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15(2)19-6-4-5-7-20(19)24-21(26)14-29-23(28)17-12-22(27)25(13-17)18-10-8-16(3)9-11-18/h4-11,15,17H,12-14H2,1-3H3,(H,24,26).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 4803088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).