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

C35H33N3O5 — CID 2721651

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

(2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 2721651) has the molecular formula C35H33N3O5 and a molecular weight of 575.67 g/mol. Its IUPAC name is (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 2721651
• Molecular Formula: C35H33N3O5
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.24
• IUPAC Name: (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
• SMILES: COc1ccc(NC(=O)[C@@H](c2ccc(C(C)C)cc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1
• InChI: InChI=1S/C35H33N3O5/c1-23(2)25-13-15-26(16-14-25)32(34(41)36-27-17-19-28(43-3)20-18-27)38(21-24-9-5-4-6-10-24)31(39)22-37-30-12-8-7-11-29(30)33(40)35(37)42/h4-20,23,32H,21-22H2,1-3H3,(H,36,41)/t32-/m1/s1
• InChIKey: UOXLNMXIPYQBFD-JGCGQSQUSA-N
• XLogP: 5.76
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	5.76
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 (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide (CID 2721651) is (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide is COc1ccc(NC(=O)[C@@H](c2ccc(C(C)C)cc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1.

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

The InChIKey is UOXLNMXIPYQBFD-JGCGQSQUSA-N. The full InChI is InChI=1S/C35H33N3O5/c1-23(2)25-13-15-26(16-14-25)32(34(41)36-27-17-19-28(43-3)20-18-27)38(21-24-9-5-4-6-10-24)31(39)22-37-30-12-8-7-11-29(30)33(40)35(37)42/h4-20,23,32H,21-22H2,1-3H3,(H,36,41)/t32-/m1/s1.

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

(2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 575.67 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2721651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).