2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C26H25N3O2 — CID 71822005

About 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 71822005) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
• PubChem CID: 71822005
• Molecular Formula: C26H25N3O2
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.19
• IUPAC Name: 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccccc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21
• InChI: InChI=1S/C26H25N3O2/c1-18(2)20-12-6-7-13-21(20)28-25(30)17-29-24-15-9-8-14-22(24)27-23(16-26(29)31)19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,28,30)
• InChIKey: KYZFGYIVSPJVDE-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 71822005) is 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21.

What is the InChIKey of 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

The InChIKey is KYZFGYIVSPJVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-18(2)20-12-6-7-13-21(20)28-25(30)17-29-24-15-9-8-14-22(24)27-23(16-26(29)31)19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,28,30).

What are the key properties of 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?

2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 71822005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).