3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione

C22H24N2O6 — CID 110596942

IUPAC3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C22H24N2O6/c1-6-24-21(25)19(13-7-9-17(29-4)18(11-13)30-5)20(22(24)26)23-15-12-14(27-2)8-10-16(15)28-3/h7-12,23H,6H2,1-5H3
InChIKeyQWEJGVKKEQZKPA-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.93
Rot. Bonds8

About 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione

3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione (PubChem CID 110596942) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
PubChem CID110596942
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C22H24N2O6/c1-6-24-21(25)19(13-7-9-17(29-4)18(11-13)30-5)20(22(24)26)23-15-12-14(27-2)8-10-16(15)28-3/h7-12,23H,6H2,1-5H3
InChIKeyQWEJGVKKEQZKPA-UHFFFAOYSA-N
XLogP2.93
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110588848
3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110589099
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110587983
3-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-propylpyrrole-2,5-dione
CID 110596911
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588012
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110586015
3-(2,5-dimethoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110590035
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-methylpyrrole-2,5-dione
CID 110587827
3-(2,5-dimethoxyanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594732
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110586440
3-(2,5-dimethoxyanilino)-1-(3-ethoxypropyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586572
3-(4-chlorophenyl)-4-(2,5-dimethoxyanilino)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110599570

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione (CID 110596942) is 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione is CCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(OC)c(OC)c2)C1=O.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione?
The InChIKey is QWEJGVKKEQZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-6-24-21(25)19(13-7-9-17(29-4)18(11-13)30-5)20(22(24)26)23-15-12-14(27-2)8-10-16(15)28-3/h7-12,23H,6H2,1-5H3.
What are the key properties of 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione?
3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione has a molecular weight of 412.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 110596942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).