3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione

C27H26N2O4 — CID 110598397

IUPAC3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C27H26N2O4/c1-4-16-33-21-9-7-8-19(17-21)28-25-24(22-10-5-6-11-23(22)32-3)26(30)29(27(25)31)20-14-12-18(2)13-15-20/h5-15,17,28H,4,16H2,1-3H3
InChIKeyCVAYQADTDDWFKO-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.19
Rot. Bonds8

About 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione

3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione (PubChem CID 110598397) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
PubChem CID110598397
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C27H26N2O4/c1-4-16-33-21-9-7-8-19(17-21)28-25-24(22-10-5-6-11-23(22)32-3)26(30)29(27(25)31)20-14-12-18(2)13-15-20/h5-15,17,28H,4,16H2,1-3H3
InChIKeyCVAYQADTDDWFKO-UHFFFAOYSA-N
XLogP5.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598305
3-(3,4-dimethoxyphenyl)-1-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110597204
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598614
1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598014
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597242
3-(4-methoxyanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110598415
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110592505
1-(3-chloro-4-fluorophenyl)-3-(3-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598264
3-(3,4-dimethylanilino)-4-(4-methylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110600196
3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110598367
3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593914
1-(3-chloro-4-methoxyphenyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591445

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione (CID 110598397) is 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione is CCCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(C)cc3)C2=O)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
The InChIKey is CVAYQADTDDWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-4-16-33-21-9-7-8-19(17-21)28-25-24(22-10-5-6-11-23(22)32-3)26(30)29(27(25)31)20-14-12-18(2)13-15-20/h5-15,17,28H,4,16H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione has a molecular weight of 442.52 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110598397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).