3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione

C26H24N2O5 — CID 110595970

IUPAC3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccccc3)C(=O)N(c3cc(C)ccc3OC)C2=O)c1
InChIInChI=1S/C26H24N2O5/c1-16-10-12-22(33-4)20(14-16)28-25(29)23(17-8-6-5-7-9-17)24(26(28)30)27-19-15-18(31-2)11-13-21(19)32-3/h5-15,27H,1-4H3
InChIKeyBNYIYUYAIDSNTI-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.42
Rot. Bonds7

About 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione

3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595970) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595970
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccccc3)C(=O)N(c3cc(C)ccc3OC)C2=O)c1
InChIInChI=1S/C26H24N2O5/c1-16-10-12-22(33-4)20(14-16)28-25(29)23(17-8-6-5-7-9-17)24(26(28)30)27-19-15-18(31-2)11-13-21(19)32-3/h5-15,27H,1-4H3
InChIKeyBNYIYUYAIDSNTI-UHFFFAOYSA-N
XLogP4.42
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.42
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)-1-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593456
3-[4-(dimethylamino)anilino]-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595959
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595150
3-(2,5-dimethoxyanilino)-4-phenyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110595679
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595966
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595951
1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110595308
3-(2,5-dimethoxyanilino)-1-(3-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592520
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588350
3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110589801
3-(4-chlorophenyl)-4-(2,5-dimethoxyanilino)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110599669
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione (CID 110595970) is 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione is COc1ccc(OC)c(NC2=C(c3ccccc3)C(=O)N(c3cc(C)ccc3OC)C2=O)c1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is BNYIYUYAIDSNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-16-10-12-22(33-4)20(14-16)28-25(29)23(17-8-6-5-7-9-17)24(26(28)30)27-19-15-18(31-2)11-13-21(19)32-3/h5-15,27H,1-4H3.
What are the key properties of 3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione?
3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 444.49 g/mol, XLogP of 4.42, 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)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).