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

C24H26N2O3 — CID 110547267

IUPAC1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C24H26N2O3/c1-4-29-20-9-7-18(8-10-20)21-22(25-11-5-6-12-25)24(28)26(23(21)27)19-14-16(2)13-17(3)15-19/h7-10,13-15H,4-6,11-12H2,1-3H3
InChIKeyAYQHEDHCXDZLLI-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.08
Rot. Bonds5

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

1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110547267) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110547267
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C24H26N2O3/c1-4-29-20-9-7-18(8-10-20)21-22(25-11-5-6-12-25)24(28)26(23(21)27)19-14-16(2)13-17(3)15-19/h7-10,13-15H,4-6,11-12H2,1-3H3
InChIKeyAYQHEDHCXDZLLI-UHFFFAOYSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547437
1-(4-methylphenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577575
1-(3-methylphenyl)-3-piperidin-1-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577543
4-[3-(4-ethoxyphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-1-yl]benzonitrile
CID 110547979
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
1-(4-butylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547523
1-[3-(dimethylamino)phenyl]-3-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110548037
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
1-(3,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551646
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579648
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110548085
1-(3,5-dimethylphenyl)-3-(4-ethoxyanilino)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588130

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110547267) is 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is CCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is AYQHEDHCXDZLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-29-20-9-7-18(8-10-20)21-22(25-11-5-6-12-25)24(28)26(23(21)27)19-14-16(2)13-17(3)15-19/h7-10,13-15H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 390.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110547267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).