2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

C19H25N3O3 — CID 166295428

About 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 166295428) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
• PubChem CID: 166295428
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
• SMILES: CN1C(=O)COc2ccc(NC(=O)CC3CCNC4(CCC4)C3)cc21
• InChI: InChI=1S/C19H25N3O3/c1-22-15-10-14(3-4-16(15)25-12-18(22)24)21-17(23)9-13-5-8-20-19(11-13)6-2-7-19/h3-4,10,13,20H,2,5-9,11-12H2,1H3,(H,21,23)
• InChIKey: KWCJVFUTVHTYCS-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?

The IUPAC name of 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 166295428) is 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

What is the SMILES notation for 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?

The canonical SMILES for 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CN1C(=O)COc2ccc(NC(=O)CC3CCNC4(CCC4)C3)cc21.

What is the InChIKey of 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?

The InChIKey is KWCJVFUTVHTYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-15-10-14(3-4-16(15)25-12-18(22)24)21-17(23)9-13-5-8-20-19(11-13)6-2-7-19/h3-4,10,13,20H,2,5-9,11-12H2,1H3,(H,21,23).

What are the key properties of 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?

2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-azaspiro[3.5]nonan-8-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 166295428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).