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

C24H28N2O2 — CID 110589098

IUPAC3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(CC(C)C)C2=O)cc1C
InChIInChI=1S/C24H28N2O2/c1-14(2)13-26-23(27)21(19-9-7-15(3)17(5)11-19)22(24(26)28)25-20-10-8-16(4)18(6)12-20/h7-12,14,25H,13H2,1-6H3
InChIKeyWFIIHTPSTQTVQG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.77
Rot. Bonds5

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

3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110589098) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110589098
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(CC(C)C)C2=O)cc1C
InChIInChI=1S/C24H28N2O2/c1-14(2)13-26-23(27)21(19-9-7-15(3)17(5)11-19)22(24(26)28)25-20-10-8-16(4)18(6)12-20/h7-12,14,25H,13H2,1-6H3
InChIKeyWFIIHTPSTQTVQG-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110593067
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110589099
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110586482
3-(3,4-dimethylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110590034
3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594524
3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110588824
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110589564
N-[4-[4-(3,4-dimethylanilino)-2,5-dioxo-1-(2-propan-2-yloxyethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596486
3-(3,4-dimethylanilino)-1-methyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590091
3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110589118
N-[4-[4-(3-fluoroanilino)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596519
N-[4-[4-(4-fluoroanilino)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596517

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110589098) is 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is Cc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(CC(C)C)C2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is WFIIHTPSTQTVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-14(2)13-26-23(27)21(19-9-7-15(3)17(5)11-19)22(24(26)28)25-20-10-8-16(4)18(6)12-20/h7-12,14,25H,13H2,1-6H3.
What are the key properties of 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 376.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110589098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).