2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide

C₁₄H₁₈N₂O₃ — CID 7437484

About 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide (PubChem CID 7437484) has the molecular formula C₁₄H₁₈N₂O₃ and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
• PubChem CID: 7437484
• Molecular Formula: C₁₄H₁₈N₂O₃
• Molecular Weight: 262.31 g/mol
• Exact Mass: 262.13
• IUPAC Name: 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21
• InChI: InChI=1S/C14H18N2O3/c1-9(2)15-13(17)8-16-11-6-4-5-7-12(11)19-10(3)14(16)18/h4-7,9-10H,8H2,1-3H3,(H,15,17)/t10-/m1/s1
• InChIKey: URKCUAWXNDEWGJ-SNVBAGLBSA-N
• XLogP: 1.33
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.31
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide (CID 7437484) is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21.

What is the InChIKey of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?

The InChIKey is URKCUAWXNDEWGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)15-13(17)8-16-11-6-4-5-7-12(11)19-10(3)14(16)18/h4-7,9-10H,8H2,1-3H3,(H,15,17)/t10-/m1/s1.

What are the key properties of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide?

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7437484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7437484 — identifiers, structure, computed properties (public domain)

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