2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide

C28H25N3O5 — CID 23883030

About 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide

2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide (PubChem CID 23883030) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
• PubChem CID: 23883030
• Molecular Formula: C28H25N3O5
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.18
• IUPAC Name: 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
• SMILES: COc1cccc(C(=O)N2C(C(N)=O)C3C(=O)N(c4ccccc4)C(=O)C3C2c2ccc(C)cc2)c1
• InChI: InChI=1S/C28H25N3O5/c1-16-11-13-17(14-12-16)23-21-22(28(35)30(27(21)34)19-8-4-3-5-9-19)24(25(29)32)31(23)26(33)18-7-6-10-20(15-18)36-2/h3-15,21-24H,1-2H3,(H2,29,32)
• InChIKey: GMXDNUJQLXMLQJ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 110.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?

The IUPAC name of 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide (CID 23883030) is 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide.

What is the SMILES notation for 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?

The canonical SMILES for 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide is COc1cccc(C(=O)N2C(C(N)=O)C3C(=O)N(c4ccccc4)C(=O)C3C2c2ccc(C)cc2)c1.

What is the InChIKey of 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?

The InChIKey is GMXDNUJQLXMLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-16-11-13-17(14-12-16)23-21-22(28(35)30(27(21)34)19-8-4-3-5-9-19)24(25(29)32)31(23)26(33)18-7-6-10-20(15-18)36-2/h3-15,21-24H,1-2H3,(H2,29,32).

What are the key properties of 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?

2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxybenzoyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide is sourced from PubChem (CID 23883030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).