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

C37H36N4O5 — CID 43820047

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

2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 43820047) has the molecular formula C37H36N4O5 and a molecular weight of 616.72 g/mol. Its IUPAC name is 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 43820047
• Molecular Formula: C37H36N4O5
• Molecular Weight: 616.72 g/mol
• Exact Mass: 616.27
• IUPAC Name: 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• SMILES: Cc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C37H36N4O5/c1-25-7-11-27(12-8-25)23-41(33(42)24-40-32-6-4-3-5-31(32)35(43)37(40)45)34(28-13-9-26(2)10-14-28)36(44)38-29-15-17-30(18-16-29)39-19-21-46-22-20-39/h3-18,34H,19-24H2,1-2H3,(H,38,44)
• InChIKey: DONRSTMVPMJKGQ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.72
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 43820047) is 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

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

The canonical SMILES for 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1.

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

The InChIKey is DONRSTMVPMJKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N4O5/c1-25-7-11-27(12-8-25)23-41(33(42)24-40-32-6-4-3-5-31(32)35(43)37(40)45)34(28-13-9-26(2)10-14-28)36(44)38-29-15-17-30(18-16-29)39-19-21-46-22-20-39/h3-18,34H,19-24H2,1-2H3,(H,38,44).

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

2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 616.72 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 43820047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).