2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide

C36H35N3O5 — CID 43819456

About 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide

2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 43819456) has the molecular formula C36H35N3O5 and a molecular weight of 589.69 g/mol. Its IUPAC name is 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 43819456
• Molecular Formula: C36H35N3O5
• Molecular Weight: 589.69 g/mol
• Exact Mass: 589.26
• IUPAC Name: 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
• SMILES: COc1ccc(NC(=O)C(c2ccc(C(C)C)cc2)N(Cc2ccc(C)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1
• InChI: InChI=1S/C36H35N3O5/c1-23(2)26-13-15-27(16-14-26)33(35(42)37-28-17-19-29(44-4)20-18-28)39(21-25-11-9-24(3)10-12-25)32(40)22-38-31-8-6-5-7-30(31)34(41)36(38)43/h5-20,23,33H,21-22H2,1-4H3,(H,37,42)
• InChIKey: DPDFBJMBLOZVNS-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.69
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide (CID 43819456) is 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide is COc1ccc(NC(=O)C(c2ccc(C(C)C)cc2)N(Cc2ccc(C)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1.

What is the InChIKey of 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide?

The InChIKey is DPDFBJMBLOZVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O5/c1-23(2)26-13-15-27(16-14-26)33(35(42)37-28-17-19-29(44-4)20-18-28)39(21-25-11-9-24(3)10-12-25)32(40)22-38-31-8-6-5-7-30(31)34(41)36(38)43/h5-20,23,33H,21-22H2,1-4H3,(H,37,42).

What are the key properties of 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide?

2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 589.69 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).