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

C24H28N2O4 — CID 110589099

IUPAC3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccc(C)c(C)c3)C(=O)N(CC(C)C)C2=O)c1
InChIInChI=1S/C24H28N2O4/c1-14(2)13-26-23(27)21(17-8-7-15(3)16(4)11-17)22(24(26)28)25-19-12-18(29-5)9-10-20(19)30-6/h7-12,14,25H,13H2,1-6H3
InChIKeyKSCQUCIKISILKP-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.17
Rot. Bonds7

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

3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110589099) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110589099
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccc(C)c(C)c3)C(=O)N(CC(C)C)C2=O)c1
InChIInChI=1S/C24H28N2O4/c1-14(2)13-26-23(27)21(17-8-7-15(3)16(4)11-17)22(24(26)28)25-19-12-18(29-5)9-10-20(19)30-6/h7-12,14,25H,13H2,1-6H3
InChIKeyKSCQUCIKISILKP-UHFFFAOYSA-N
XLogP4.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.17
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)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110587983
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110588848
3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110593067
3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110596942
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110589399
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110589098
3-(2,5-dimethoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110590035
1-(4-chlorophenyl)-3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589585
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110589306
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110586015
3-(2,5-dimethoxyanilino)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600518
3-(2,5-dimethoxyanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594732

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110589099) is 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is COc1ccc(OC)c(NC2=C(c3ccc(C)c(C)c3)C(=O)N(CC(C)C)C2=O)c1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is KSCQUCIKISILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-14(2)13-26-23(27)21(17-8-7-15(3)16(4)11-17)22(24(26)28)25-19-12-18(29-5)9-10-20(19)30-6/h7-12,14,25H,13H2,1-6H3.
What are the key properties of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 408.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110589099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).