2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C47H35N3O6 — CID 163757145

About 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 163757145) has the molecular formula C47H35N3O6 and a molecular weight of 737.81 g/mol. Its IUPAC name is 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
• PubChem CID: 163757145
• Molecular Formula: C47H35N3O6
• Molecular Weight: 737.81 g/mol
• Exact Mass: 737.25
• IUPAC Name: 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
• SMILES: Cc1ccc(CC(=O)c2ccc3c(c2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(C)cc7)cc6C5=O)cc4C)c(C)c2)C3=O)cc1
• InChI: InChI=1S/C47H35N3O6/c1-26-5-9-30(10-6-26)23-42(51)31-11-17-38-40(24-31)46(55)49(44(38)53)34-15-19-36(28(3)21-34)37-20-16-35(22-29(37)4)50-45(54)39-18-12-32(25-41(39)47(50)56)43(52)48-33-13-7-27(2)8-14-33/h5-22,24-25H,23H2,1-4H3,(H,48,52)
• InChIKey: GTOSAVZSXRFOAT-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 120.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.81
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?

The IUPAC name of 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 163757145) is 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

What is the SMILES notation for 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?

The canonical SMILES for 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(CC(=O)c2ccc3c(c2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(C)cc7)cc6C5=O)cc4C)c(C)c2)C3=O)cc1.

What is the InChIKey of 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?

The InChIKey is GTOSAVZSXRFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O6/c1-26-5-9-30(10-6-26)23-42(51)31-11-17-38-40(24-31)46(55)49(44(38)53)34-15-19-36(28(3)21-34)37-20-16-35(22-29(37)4)50-45(54)39-18-12-32(25-41(39)47(50)56)43(52)48-33-13-7-27(2)8-14-33/h5-22,24-25H,23H2,1-4H3,(H,48,52).

What are the key properties of 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?

2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 737.81 g/mol, XLogP of 8.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 163757145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).