3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione

C23H26N2O3 — CID 110589219

IUPAC3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCCOc1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C23H26N2O3/c1-6-28-19-9-7-8-18(13-19)24-21-20(17-11-10-15(4)16(5)12-17)22(26)25(14(2)3)23(21)27/h7-14,24H,6H2,1-5H3
InChIKeyJFFIBHDFYNKPLH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.30
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione

3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110589219) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110589219
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCCOc1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C23H26N2O3/c1-6-28-19-9-7-8-18(13-19)24-21-20(17-11-10-15(4)16(5)12-17)22(26)25(14(2)3)23(21)27/h7-14,24H,6H2,1-5H3
InChIKeyJFFIBHDFYNKPLH-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)-4-(4-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110589239
3-(3-ethoxyanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586623
3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110589215
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)pyrrole-2,5-dione
CID 110589594
3-(3,4-dimethylphenyl)-4-(3-propoxyanilino)-1-propylpyrrole-2,5-dione
CID 110588825
3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110588082
3-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110589456
3-(3-ethoxyanilino)-1-methyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590074
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110588547
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597242
3-(3-ethoxyanilino)-1-ethyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590046
3-(3,4-dimethylphenyl)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110589463

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione (CID 110589219) is 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione is CCOc1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(C(C)C)C2=O)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is JFFIBHDFYNKPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-6-28-19-9-7-8-18(13-19)24-21-20(17-11-10-15(4)16(5)12-17)22(26)25(14(2)3)23(21)27/h7-14,24H,6H2,1-5H3.
What are the key properties of 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 378.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110589219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).