N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide

C26H28N2O4 — CID 4615432

About N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide (PubChem CID 4615432) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide
• PubChem CID: 4615432
• Molecular Formula: C26H28N2O4
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide
• SMILES: CCC(C)(C)c1ccc2c(c1)N(Cc1cccc(C(=O)NCc3ccco3)c1)C(=O)CO2
• InChI: InChI=1S/C26H28N2O4/c1-4-26(2,3)20-10-11-23-22(14-20)28(24(29)17-32-23)16-18-7-5-8-19(13-18)25(30)27-15-21-9-6-12-31-21/h5-14H,4,15-17H2,1-3H3,(H,27,30)
• InChIKey: ACWJMALNWUIUMS-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide?

The IUPAC name of N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide (CID 4615432) is N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide?

The canonical SMILES for N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide is CCC(C)(C)c1ccc2c(c1)N(Cc1cccc(C(=O)NCc3ccco3)c1)C(=O)CO2.

What is the InChIKey of N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide?

The InChIKey is ACWJMALNWUIUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-4-26(2,3)20-10-11-23-22(14-20)28(24(29)17-32-23)16-18-7-5-8-19(13-18)25(30)27-15-21-9-6-12-31-21/h5-14H,4,15-17H2,1-3H3,(H,27,30).

What are the key properties of N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide?

N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide is sourced from PubChem (CID 4615432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).