3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione

C21H22N2O5 — CID 110587827

IUPAC3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3cc(OC)ccc3OC)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-5-28-14-8-6-13(7-9-14)18-19(21(25)23(2)20(18)24)22-16-12-15(26-3)10-11-17(16)27-4/h6-12,22H,5H2,1-4H3
InChIKeyMPGKRESJVNQYQE-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.92
Rot. Bonds7

About 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione

3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione (PubChem CID 110587827) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione
PubChem CID110587827
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3cc(OC)ccc3OC)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-5-28-14-8-6-13(7-9-14)18-19(21(25)23(2)20(18)24)22-16-12-15(26-3)10-11-17(16)27-4/h6-12,22H,5H2,1-4H3
InChIKeyMPGKRESJVNQYQE-UHFFFAOYSA-N
XLogP2.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methylphenyl)pyrrole-2,5-dione
CID 110588350
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110587983
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588012
3-(2,5-dimethoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110590035
3-(2,5-dimethoxyanilino)-1-(3-ethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585899
3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110596942
3-(2,5-dimethylanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione
CID 110587830
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110588848
3-(4-chlorophenyl)-4-(2,5-dimethoxyanilino)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110599570
3-(2,5-dimethoxyanilino)-1-(3-ethoxypropyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586572
3-(2,5-dimethoxyanilino)-1-(3-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592520
3-(4-chlorophenyl)-4-(4-ethoxyanilino)-1-methylpyrrole-2,5-dione
CID 110599313

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione (CID 110587827) is 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione is CCOc1ccc(C2=C(Nc3cc(OC)ccc3OC)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione?
The InChIKey is MPGKRESJVNQYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-28-14-8-6-13(7-9-14)18-19(21(25)23(2)20(18)24)22-16-12-15(26-3)10-11-17(16)27-4/h6-12,22H,5H2,1-4H3.
What are the key properties of 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione?
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione has a molecular weight of 382.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 110587827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).