3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C19H18N2O5 — CID 164626816

IUPAC3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3OC)C(=O)NC2=O)cc1OC
InChIInChI=1S/C19H18N2O5/c1-24-13-7-5-4-6-12(13)16-17(19(23)21-18(16)22)20-11-8-9-14(25-2)15(10-11)26-3/h4-10H,1-3H3,(H2,20,21,22,23)
InChIKeyXNHQSWIDSXSZBR-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.19
Rot. Bonds6

About 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 164626816) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID164626816
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3OC)C(=O)NC2=O)cc1OC
InChIInChI=1S/C19H18N2O5/c1-24-13-7-5-4-6-12(13)16-17(19(23)21-18(16)22)20-11-8-9-14(25-2)15(10-11)26-3/h4-10H,1-3H3,(H2,20,21,22,23)
InChIKeyXNHQSWIDSXSZBR-UHFFFAOYSA-N
XLogP2.19
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 164626816) is 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(NC2=C(c3ccccc3OC)C(=O)NC2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is XNHQSWIDSXSZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-13-7-5-4-6-12(13)16-17(19(23)21-18(16)22)20-11-8-9-14(25-2)15(10-11)26-3/h4-10H,1-3H3,(H2,20,21,22,23).
What are the key properties of 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 354.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 164626816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).