1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione

C26H24N2O4 — CID 110593971

IUPAC1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C26H24N2O4/c1-16-10-11-19(12-17(16)2)27-24-23(18-8-6-5-7-9-18)25(29)28(26(24)30)20-13-21(31-3)15-22(14-20)32-4/h5-15,27H,1-4H3
InChIKeyUJBBAJXQIOHUQD-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.72
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione

1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110593971) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110593971
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(c3ccccc3)C2=O)c1
InChIInChI=1S/C26H24N2O4/c1-16-10-11-19(12-17(16)2)27-24-23(18-8-6-5-7-9-18)25(29)28(26(24)30)20-13-21(31-3)15-22(14-20)32-4/h5-15,27H,1-4H3
InChIKeyUJBBAJXQIOHUQD-UHFFFAOYSA-N
XLogP4.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.72
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-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110589564
1-(3,4-dimethylphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593384
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110586847
3-anilino-4-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110588532
1-(2-chlorophenyl)-3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593886
N-[4-[4-(3,4-dimethylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596727
3-(3,4-dimethylanilino)-1-(2,4-dimethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595997
1-(4-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589572
3-(3-chloro-4-methoxyanilino)-1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593381
3-(4-chlorophenyl)-4-(3,4-dimethylanilino)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110599668
3-(3,4-dimethylanilino)-1-(3,5-dimethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586689
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595103

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione (CID 110593971) is 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione is COc1cc(OC)cc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is UJBBAJXQIOHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-16-10-11-19(12-17(16)2)27-24-23(18-8-6-5-7-9-18)25(29)28(26(24)30)20-13-21(31-3)15-22(14-20)32-4/h5-15,27H,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione?
1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 428.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110593971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).