3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

C19H20N2O2 — CID 43844310

IUPAC3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Nc3cc(C)ccc3C)C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-12-5-8-15(9-6-12)21-18(22)11-17(19(21)23)20-16-10-13(2)4-7-14(16)3/h4-10,17,20H,11H2,1-3H3
InChIKeyPMWRSNKNSLWFBQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.36
Rot. Bonds3

About 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 43844310) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID43844310
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Nc3cc(C)ccc3C)C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-12-5-8-15(9-6-12)21-18(22)11-17(19(21)23)20-16-10-13(2)4-7-14(16)3/h4-10,17,20H,11H2,1-3H3
InChIKeyPMWRSNKNSLWFBQ-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.36
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)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51859833
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
4-[3-(2,4-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827244
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 43637342
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
2-[2-[3-(2,5-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 43861057
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860244

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 43844310) is 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Nc3cc(C)ccc3C)C2=O)cc1.
What is the InChIKey of 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is PMWRSNKNSLWFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-5-8-15(9-6-12)21-18(22)11-17(19(21)23)20-16-10-13(2)4-7-14(16)3/h4-10,17,20H,11H2,1-3H3.
What are the key properties of 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).