1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione

C25H25N3O3 — CID 5174295

IUPAC1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
SMILESCOc1ccccc1Nc1ccc(NC2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C25H25N3O3/c1-16-8-13-22(17(2)14-16)28-24(29)15-21(25(28)30)27-19-11-9-18(10-12-19)26-20-6-4-5-7-23(20)31-3/h4-14,21,26-27H,15H2,1-3H3
InChIKeyWSUYXZJFXBPIKL-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.80
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione

1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione (PubChem CID 5174295) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
PubChem CID5174295
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
SMILESCOc1ccccc1Nc1ccc(NC2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C25H25N3O3/c1-16-8-13-22(17(2)14-16)28-24(29)15-21(25(28)30)27-19-11-9-18(10-12-19)26-20-6-4-5-7-23(20)31-3/h4-14,21,26-27H,15H2,1-3H3
InChIKeyWSUYXZJFXBPIKL-UHFFFAOYSA-N
XLogP4.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione (CID 5174295) is 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione is COc1ccccc1Nc1ccc(NC2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione?
The InChIKey is WSUYXZJFXBPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-8-13-22(17(2)14-16)28-24(29)15-21(25(28)30)27-19-11-9-18(10-12-19)26-20-6-4-5-7-23(20)31-3/h4-14,21,26-27H,15H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione?
1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione has a molecular weight of 415.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 5174295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).