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

C18H18N2O2 — CID 19163694

IUPAC3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-12-6-8-14(9-7-12)19-16-11-17(21)20(18(16)22)15-5-3-4-13(2)10-15/h3-10,16,19H,11H2,1-2H3
InChIKeyGSVCRJZMNLMDJB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.05
Rot. Bonds3

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

3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 19163694) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID19163694
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-12-6-8-14(9-7-12)19-16-11-17(21)20(18(16)22)15-5-3-4-13(2)10-15/h3-10,16,19H,11H2,1-2H3
InChIKeyGSVCRJZMNLMDJB-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.05
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)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163644
3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 51859864
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 8933099
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
3-(3,4-dimethylanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844727
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 19163694) is 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is GSVCRJZMNLMDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-6-8-14(9-7-12)19-16-11-17(21)20(18(16)22)15-5-3-4-13(2)10-15/h3-10,16,19H,11H2,1-2H3.
What are the key properties of 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19163694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).