3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione

C27H26N2O5 — CID 110593463

IUPAC3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cc(OC)cc(OC)c3)C(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-16-7-6-8-23(17(16)2)29-26(30)24(18-9-11-20(32-3)12-10-18)25(27(29)31)28-19-13-21(33-4)15-22(14-19)34-5/h6-15,28H,1-5H3
InChIKeySJIUCAFMBQLWBS-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.73
Rot. Bonds7

About 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione

3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110593463) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110593463
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cc(OC)cc(OC)c3)C(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-16-7-6-8-23(17(16)2)29-26(30)24(18-9-11-20(32-3)12-10-18)25(27(29)31)28-19-13-21(33-4)15-22(14-19)34-5/h6-15,28H,1-5H3
InChIKeySJIUCAFMBQLWBS-UHFFFAOYSA-N
XLogP4.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.73
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-anilino-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593483
1-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110593462
1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598255
3-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587455
3-(3,5-dimethoxyanilino)-1-(2-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586789
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 110589321
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593657
3-(3,5-dimethoxyanilino)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593256
3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)-4-(3-ethoxyanilino)pyrrole-2,5-dione
CID 110599850
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110598556
1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586975
3-(3,4-dimethoxyphenyl)-4-(3-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110597268

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione (CID 110593463) is 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(Nc3cc(OC)cc(OC)c3)C(=O)N(c3cccc(C)c3C)C2=O)cc1.
What is the InChIKey of 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is SJIUCAFMBQLWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-16-7-6-8-23(17(16)2)29-26(30)24(18-9-11-20(32-3)12-10-18)25(27(29)31)28-19-13-21(33-4)15-22(14-19)34-5/h6-15,28H,1-5H3.
What are the key properties of 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 458.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110593463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).