[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C24H28N2O4 — CID 7799027

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(C)C)CC1=O
InChIInChI=1S/C24H28N2O4/c1-4-17-9-5-8-12-21(17)26-14-18(13-23(26)28)24(29)30-15-22(27)25-20-11-7-6-10-19(20)16(2)3/h5-12,16,18H,4,13-15H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyWGLURYGLWVIENJ-SFHVURJKSA-N
MW408.50 g/mol
LogP3.91
Rot. Bonds7

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

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7799027) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7799027
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(C)C)CC1=O
InChIInChI=1S/C24H28N2O4/c1-4-17-9-5-8-12-21(17)26-14-18(13-23(26)28)24(29)30-15-22(27)25-20-11-7-6-10-19(20)16(2)3/h5-12,16,18H,4,13-15H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyWGLURYGLWVIENJ-SFHVURJKSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466529
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4803088
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524567
[2-(methylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798822
[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466383
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466582
[2-(2-ethylanilino)-2-oxoethyl] (3R)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9170930
[2-(4-fluoroanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466545
[2-(2-ethylanilino)-2-oxoethyl] (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7282863
[2-(4-methoxycarbonylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42016901
[2-(2-ethoxyanilino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546244
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798856

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 7799027) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(C)C)CC1=O.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WGLURYGLWVIENJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-4-17-9-5-8-12-21(17)26-14-18(13-23(26)28)24(29)30-15-22(27)25-20-11-7-6-10-19(20)16(2)3/h5-12,16,18H,4,13-15H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 3.91, 7 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] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7799027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).