N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide

C24H22N2O5 — CID 46960545

About N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide

N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 46960545) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
• PubChem CID: 46960545
• Molecular Formula: C24H22N2O5
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.15
• IUPAC Name: N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
• SMILES: CCC1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O
• InChI: InChI=1S/C24H22N2O5/c1-2-19-24(29)26(15-22(27)25-14-16-7-4-3-5-8-16)18-13-17(10-11-20(18)31-19)23(28)21-9-6-12-30-21/h3-13,19H,2,14-15H2,1H3,(H,25,27)
• InChIKey: SVNMSOOGPGCGCK-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide?

The IUPAC name of N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 46960545) is N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide?

The canonical SMILES for N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide is CCC1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O.

What is the InChIKey of N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide?

The InChIKey is SVNMSOOGPGCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-19-24(29)26(15-22(27)25-14-16-7-4-3-5-8-16)18-13-17(10-11-20(18)31-19)23(28)21-9-6-12-30-21/h3-13,19H,2,14-15H2,1H3,(H,25,27).

What are the key properties of N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide?

N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 46960545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).