1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C26H24N2O4 — CID 110598014

IUPAC1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3cc(C)cc(C)c3)C2=O)c1
InChIInChI=1S/C26H24N2O4/c1-16-12-17(2)14-19(13-16)28-25(29)23(21-10-5-6-11-22(21)32-4)24(26(28)30)27-18-8-7-9-20(15-18)31-3/h5-15,27H,1-4H3
InChIKeyWOJWQTLOEXTMAX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.72
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110598014) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110598014
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3cc(C)cc(C)c3)C2=O)c1
InChIInChI=1S/C26H24N2O4/c1-16-12-17(2)14-19(13-16)28-25(29)23(21-10-5-6-11-22(21)32-4)24(26(28)30)27-18-8-7-9-20(15-18)31-3/h5-15,27H,1-4H3
InChIKeyWOJWQTLOEXTMAX-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-(2,5-dimethoxyanilino)-1-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598028
3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110598367
3-(1,3-benzodioxol-5-ylamino)-1-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566661
1-(3,5-dimethylphenyl)-3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110598016
3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598397
3-(3,5-dimethylanilino)-1-(3-fluorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597997
3-(4-methoxyanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110598415
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110597292
3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600222
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110593580
1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598305

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110598014) is 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3cc(C)cc(C)c3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is WOJWQTLOEXTMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-16-12-17(2)14-19(13-16)28-25(29)23(21-10-5-6-11-22(21)32-4)24(26(28)30)27-18-8-7-9-20(15-18)31-3/h5-15,27H,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-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-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).