3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione

C28H28N2O3 — CID 110589801

IUPAC3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C28H28N2O3/c1-16-7-9-19(4)22(13-16)29-26-25(21-11-10-18(3)20(5)15-21)27(31)30(28(26)32)23-14-17(2)8-12-24(23)33-6/h7-15,29H,1-6H3
InChIKeyUGVIOKZQKDUPGW-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.63
Rot. Bonds5

About 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione

3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione (PubChem CID 110589801) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
PubChem CID110589801
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C28H28N2O3/c1-16-7-9-19(4)22(13-16)29-26-25(21-11-10-18(3)20(5)15-21)27(31)30(28(26)32)23-14-17(2)8-12-24(23)33-6/h7-15,29H,1-6H3
InChIKeyUGVIOKZQKDUPGW-UHFFFAOYSA-N
XLogP5.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.63
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-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110600008
3-(3,4-dimethoxyphenyl)-4-(2,5-dimethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110597238
3-(2,5-dimethoxyanilino)-1-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593456
3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597249
3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595970
1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591613
3-(3,5-dimethylanilino)-4-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110587353
3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110589464
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593346
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110589399
1-[3-(dimethylamino)phenyl]-3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589906
3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110588682

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione (CID 110589801) is 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione is COc1ccc(C)cc1N1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The InChIKey is UGVIOKZQKDUPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-16-7-9-19(4)22(13-16)29-26-25(21-11-10-18(3)20(5)15-21)27(31)30(28(26)32)23-14-17(2)8-12-24(23)33-6/h7-15,29H,1-6H3.
What are the key properties of 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione has a molecular weight of 440.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110589801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).