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

C₁₈H₂₂N₂O₃ — CID 24620792

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

N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 24620792) has the molecular formula C₁₈H₂₂N₂O₃ and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
• PubChem CID: 24620792
• Molecular Formula: C₁₈H₂₂N₂O₃
• Molecular Weight: 314.38 g/mol
• Exact Mass: 314.16
• IUPAC Name: N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
• SMILES: CC1Oc2ccccc2N(CC(=O)NC(C2CC2)C2CC2)C1=O
• InChI: InChI=1S/C18H22N2O3/c1-11-18(22)20(14-4-2-3-5-15(14)23-11)10-16(21)19-17(12-6-7-12)13-8-9-13/h2-5,11-13,17H,6-10H2,1H3,(H,19,21)
• InChIKey: ZIFPOXBNUJLELE-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.38
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 24620792) is N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

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

The canonical SMILES for N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)NC(C2CC2)C2CC2)C1=O.

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

The InChIKey is ZIFPOXBNUJLELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-18(22)20(14-4-2-3-5-15(14)23-11)10-16(21)19-17(12-6-7-12)13-8-9-13/h2-5,11-13,17H,6-10H2,1H3,(H,19,21).

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

N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 24620792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24620792 — identifiers, structure, computed properties (public domain)

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