1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione

C19H20N2O2 — CID 138958689

IUPAC1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Nc3ccccc3C)C2=O)c1
InChIInChI=1S/C19H20N2O2/c1-12-8-13(2)10-15(9-12)21-18(22)11-17(19(21)23)20-16-7-5-4-6-14(16)3/h4-10,17,20H,11H2,1-3H3
InChIKeyYHJCYUJJFLFLCN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.36
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione (PubChem CID 138958689) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
PubChem CID138958689
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Nc3ccccc3C)C2=O)c1
InChIInChI=1S/C19H20N2O2/c1-12-8-13(2)10-15(9-12)21-18(22)11-17(19(21)23)20-16-7-5-4-6-14(16)3/h4-10,17,20H,11H2,1-3H3
InChIKeyYHJCYUJJFLFLCN-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

3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826781
(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 98188346
(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 51859864
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 98187808
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51860019
(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 93235170

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione (CID 138958689) is 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione is Cc1cc(C)cc(N2C(=O)CC(Nc3ccccc3C)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is YHJCYUJJFLFLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-8-13(2)10-15(9-12)21-18(22)11-17(19(21)23)20-16-7-5-4-6-14(16)3/h4-10,17,20H,11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
1-(3,5-dimethylphenyl)-3-(2-methylanilino)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 1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 138958689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).