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

C20H22N2O2 — CID 43844445

IUPAC3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)CC(Nc3ccc(C)c(C)c3)C2=O)c1
InChIInChI=1S/C20H22N2O2/c1-12-5-6-14(3)18(9-12)22-19(23)11-17(20(22)24)21-16-8-7-13(2)15(4)10-16/h5-10,17,21H,11H2,1-4H3
InChIKeyXSNNRSZZQNCWDV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.66
Rot. Bonds3

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

3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 43844445) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID43844445
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)CC(Nc3ccc(C)c(C)c3)C2=O)c1
InChIInChI=1S/C20H22N2O2/c1-12-5-6-14(3)18(9-12)22-19(23)11-17(20(22)24)21-16-8-7-13(2)15(4)10-16/h5-10,17,21H,11H2,1-4H3
InChIKeyXSNNRSZZQNCWDV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione (CID 43844445) is 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione is Cc1ccc(C)c(N2C(=O)CC(Nc3ccc(C)c(C)c3)C2=O)c1.
What is the InChIKey of 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is XSNNRSZZQNCWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-5-6-14(3)18(9-12)22-19(23)11-17(20(22)24)21-16-8-7-13(2)15(4)10-16/h5-10,17,21H,11H2,1-4H3.
What are the key properties of 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)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 3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).