(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione

C21H24N2O2 — CID 51860065

IUPAC(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-5-16-6-8-17(9-7-16)23-19(24)12-18(21(23)25)22-20-14(3)10-13(2)11-15(20)4/h6-11,18,22H,5,12H2,1-4H3/t18-/m0/s1
InChIKeyRRWJNAJOMZYRFB-SFHVURJKSA-N
MW336.44 g/mol
LogP3.92
Rot. Bonds4

About (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione

(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (PubChem CID 51860065) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
PubChem CID51860065
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-5-16-6-8-17(9-7-16)23-19(24)12-18(21(23)25)22-20-14(3)10-13(2)11-15(20)4/h6-11,18,22H,5,12H2,1-4H3/t18-/m0/s1
InChIKeyRRWJNAJOMZYRFB-SFHVURJKSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51859833
(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860244
(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 98187808
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188112
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione
CID 40696755
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (CID 51860065) is (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The InChIKey is RRWJNAJOMZYRFB-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-16-6-8-17(9-7-16)23-19(24)12-18(21(23)25)22-20-14(3)10-13(2)11-15(20)4/h6-11,18,22H,5,12H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione has a molecular weight of 336.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).