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

C25H22N2O4 — CID 110600222

IUPAC3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(OC)c3)C2=O)c1
InChIInChI=1S/C25H22N2O4/c1-16-10-12-17(13-11-16)22-23(26-18-6-4-8-20(14-18)30-2)25(29)27(24(22)28)19-7-5-9-21(15-19)31-3/h4-15,26H,1-3H3
InChIKeyIRUBYTXRXSPDSP-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.41
Rot. Bonds6

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

3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110600222) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110600222
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(OC)c3)C2=O)c1
InChIInChI=1S/C25H22N2O4/c1-16-10-12-17(13-11-16)22-23(26-18-6-4-8-20(14-18)30-2)25(29)27(24(22)28)19-7-5-9-21(15-19)31-3/h4-15,26H,1-3H3
InChIKeyIRUBYTXRXSPDSP-UHFFFAOYSA-N
XLogP4.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110600222) is 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is COc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(OC)c3)C2=O)c1.
What is the InChIKey of 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is IRUBYTXRXSPDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-16-10-12-17(13-11-16)22-23(26-18-6-4-8-20(14-18)30-2)25(29)27(24(22)28)19-7-5-9-21(15-19)31-3/h4-15,26H,1-3H3.
What are the key properties of 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 414.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110600222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).