3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

C24H26N2O4 — CID 110564830

IUPAC3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC
InChIInChI=1S/C24H26N2O4/c1-15-7-8-16(2)18(13-15)26-23(27)21(22(24(26)28)25-11-5-6-12-25)17-9-10-19(29-3)20(14-17)30-4/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyZTJXZLOYJWGYKN-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.70
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110564830) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110564830
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC
InChIInChI=1S/C24H26N2O4/c1-15-7-8-16(2)18(13-15)26-23(27)21(22(24(26)28)25-11-5-6-12-25)17-9-10-19(29-3)20(14-17)30-4/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyZTJXZLOYJWGYKN-UHFFFAOYSA-N
XLogP3.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110564834
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110564828
1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565146
1-(2,5-dimethylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573778
3-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564799
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110550636
3-(3,4-dimethoxyphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110565089
1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione
CID 110550084
1-cyclooctyl-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564327
3-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110563810
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110570533
1-(2,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557467

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110564830) is 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is ZTJXZLOYJWGYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-15-7-8-16(2)18(13-15)26-23(27)21(22(24(26)28)25-11-5-6-12-25)17-9-10-19(29-3)20(14-17)30-4/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 406.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).