3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione

C26H24N2O4 — CID 110595355

IUPAC3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(Nc3cccc(OCC)c3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O4/c1-3-31-21-15-13-20(14-16-21)28-25(29)23(18-9-6-5-7-10-18)24(26(28)30)27-19-11-8-12-22(17-19)32-4-2/h5-17,27H,3-4H2,1-2H3
InChIKeyIAFLIKPOCNFXQT-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.88
Rot. Bonds8

About 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione

3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595355) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595355
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(Nc3cccc(OCC)c3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O4/c1-3-31-21-15-13-20(14-16-21)28-25(29)23(18-9-6-5-7-10-18)24(26(28)30)27-19-11-8-12-22(17-19)32-4-2/h5-17,27H,3-4H2,1-2H3
InChIKeyIAFLIKPOCNFXQT-UHFFFAOYSA-N
XLogP4.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.88
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-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586919
3-(3-ethoxyanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110595704
3-(3-ethoxyanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595199
3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591645
3-anilino-4-(4-ethoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110588333
3-anilino-1-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588205
3-anilino-1-(3-chlorophenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588311
3-anilino-4-(4-chlorophenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110599011
3-(4-ethoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593939
3-(4-ethoxyanilino)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110594075
3-(4-ethoxyphenyl)-4-(3-methoxyanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110588314
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597242

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione (CID 110595355) is 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione is CCOc1ccc(N2C(=O)C(Nc3cccc(OCC)c3)=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is IAFLIKPOCNFXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-31-21-15-13-20(14-16-21)28-25(29)23(18-9-6-5-7-10-18)24(26(28)30)27-19-11-8-12-22(17-19)32-4-2/h5-17,27H,3-4H2,1-2H3.
What are the key properties of 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione?
3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 428.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).