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

C20H22N2O2 — CID 51859833

IUPAC(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-12-5-7-16(8-6-12)22-18(23)11-17(20(22)24)21-19-14(3)9-13(2)10-15(19)4/h5-10,17,21H,11H2,1-4H3/t17-/m0/s1
InChIKeyGLKVXUDSLVNHMO-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.66
Rot. Bonds3

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

(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (PubChem CID 51859833) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
PubChem CID51859833
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-12-5-7-16(8-6-12)22-18(23)11-17(20(22)24)21-19-14(3)9-13(2)10-15(19)4/h5-10,17,21H,11H2,1-4H3/t17-/m0/s1
InChIKeyGLKVXUDSLVNHMO-KRWDZBQOSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.66
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

(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-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860065
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 8933099
4-[(3R)-3-(2,6-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523283
3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 71669968
4-[3-(2,4-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827244
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (CID 51859833) is (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The InChIKey is GLKVXUDSLVNHMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-5-7-16(8-6-12)22-18(23)11-17(20(22)24)21-19-14(3)9-13(2)10-15(19)4/h5-10,17,21H,11H2,1-4H3/t17-/m0/s1.
What are the key properties of (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione has a molecular weight of 322.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51859833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).