2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide

C23H29N5O3 — CID 44753155

About 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 44753155) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 44753155
• Molecular Formula: C23H29N5O3
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.23
• IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide
• SMILES: CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)C1CC1
• InChI: InChI=1S/C23H29N5O3/c1-5-23(3,4)24-22(30)21(19-13-10-15(2)31-19)28(16-11-12-16)20(29)14-27-18-9-7-6-8-17(18)25-26-27/h6-10,13,16,21H,5,11-12,14H2,1-4H3,(H,24,30)
• InChIKey: FJSUWFJHGZPYEL-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide (CID 44753155) is 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide is CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)C1CC1.

What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is FJSUWFJHGZPYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-5-23(3,4)24-22(30)21(19-13-10-15(2)31-19)28(16-11-12-16)20(29)14-27-18-9-7-6-8-17(18)25-26-27/h6-10,13,16,21H,5,11-12,14H2,1-4H3,(H,24,30).

What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 44753155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).