N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C₁₇H₁₉N₃O₃ — CID 86914892

About N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 86914892) has the molecular formula C₁₇H₁₉N₃O₃ and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
• PubChem CID: 86914892
• Molecular Formula: C₁₇H₁₉N₃O₃
• Molecular Weight: 313.36 g/mol
• Exact Mass: 313.14
• IUPAC Name: N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
• SMILES: CC1Oc2ccccc2N(CC(=O)NC2(C#N)CCCC2)C1=O
• InChI: InChI=1S/C17H19N3O3/c1-12-16(22)20(13-6-2-3-7-14(13)23-12)10-15(21)19-17(11-18)8-4-5-9-17/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,21)
• InChIKey: DBAWYCMSBJVJOS-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 82.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.36
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

The IUPAC name of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 86914892) is N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

The canonical SMILES for N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)NC2(C#N)CCCC2)C1=O.

What is the InChIKey of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

The InChIKey is DBAWYCMSBJVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-16(22)20(13-6-2-3-7-14(13)23-12)10-15(21)19-17(11-18)8-4-5-9-17/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,21).

What are the key properties of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 86914892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86914892 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.