3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione

C18H18N2O3 — CID 43827326

IUPAC3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(NC2CC(=O)N(c3cccc(O)c3)C2=O)c1C
InChIInChI=1S/C18H18N2O3/c1-11-5-3-8-15(12(11)2)19-16-10-17(22)20(18(16)23)13-6-4-7-14(21)9-13/h3-9,16,19,21H,10H2,1-2H3
InChIKeyWZKUTNFDAYSWLJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds3

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

3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 43827326) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID43827326
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(NC2CC(=O)N(c3cccc(O)c3)C2=O)c1C
InChIInChI=1S/C18H18N2O3/c1-11-5-3-8-15(12(11)2)19-16-10-17(22)20(18(16)23)13-6-4-7-14(21)9-13/h3-9,16,19,21H,10H2,1-2H3
InChIKeyWZKUTNFDAYSWLJ-UHFFFAOYSA-N
XLogP2.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 93235170
3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 43844748
1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43826677
3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
3-[3-(4-hydroxy-2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827270
3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 43860822
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163644
2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826781

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione (CID 43827326) is 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is Cc1cccc(NC2CC(=O)N(c3cccc(O)c3)C2=O)c1C.
What is the InChIKey of 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is WZKUTNFDAYSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-5-3-8-15(12(11)2)19-16-10-17(22)20(18(16)23)13-6-4-7-14(21)9-13/h3-9,16,19,21H,10H2,1-2H3.
What are the key properties of 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione?
3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 310.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43827326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).