3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

C28H28N2O4 — CID 110598526

IUPAC3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-5-34-22-16-12-20(13-17-22)29-26-25(23-8-6-7-9-24(23)33-4)27(31)30(28(26)32)21-14-10-19(11-15-21)18(2)3/h6-18,29H,5H2,1-4H3
InChIKeyHIMWGUARWSGSNF-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.61
Rot. Bonds8

About 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione (PubChem CID 110598526) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
PubChem CID110598526
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-5-34-22-16-12-20(13-17-22)29-26-25(23-8-6-7-9-24(23)33-4)27(31)30(28(26)32)21-14-10-19(11-15-21)18(2)3/h6-18,29H,5H2,1-4H3
InChIKeyHIMWGUARWSGSNF-UHFFFAOYSA-N
XLogP5.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110598517
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110588392
3-(4-methoxyanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110598415
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598314
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598289
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110593744
1-(4-ethoxyphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593423
1-(3-chloro-4-fluorophenyl)-3-(3-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598264
3-(3,5-dimethylanilino)-4-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110588390
3-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587403
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566974
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598305

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione (CID 110598526) is 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione is CCOc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
The InChIKey is HIMWGUARWSGSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-5-34-22-16-12-20(13-17-22)29-26-25(23-8-6-7-9-24(23)33-4)27(31)30(28(26)32)21-14-10-19(11-15-21)18(2)3/h6-18,29H,5H2,1-4H3.
What are the key properties of 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione has a molecular weight of 456.54 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).