2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide

C28H30N4O2 — CID 143794395

About 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide

2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 143794395) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 143794395
• Molecular Formula: C28H30N4O2
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.24
• IUPAC Name: 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)C(c2ccc(N)cc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C28H30N4O2/c1-18(2)19-10-14-23(15-11-19)31-28(34)27(20-8-12-22(29)13-9-20)32(3)26(33)16-21-17-30-25-7-5-4-6-24(21)25/h4-15,17-18,27,30H,16,29H2,1-3H3,(H,31,34)
• InChIKey: LBEMYJFAPNNMOJ-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 91.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 143794395) is 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(c2ccc(N)cc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1.

What is the InChIKey of 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is LBEMYJFAPNNMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-18(2)19-10-14-23(15-11-19)31-28(34)27(20-8-12-22(29)13-9-20)32(3)26(33)16-21-17-30-25-7-5-4-6-24(21)25/h4-15,17-18,27,30H,16,29H2,1-3H3,(H,31,34).

What are the key properties of 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide?

2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 454.57 g/mol, XLogP of 5.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 143794395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).