N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

C25H27N3O4 — CID 3225082

About N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 3225082) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 3225082
• Molecular Formula: C25H27N3O4
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.20
• IUPAC Name: N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccn1)Cc1ccco1)C(=O)C(C(C)C)O2
• InChI: InChI=1S/C25H27N3O4/c1-17(2)24-25(30)28(21-13-18(3)9-10-22(21)32-24)16-23(29)27(15-20-8-6-12-31-20)14-19-7-4-5-11-26-19/h4-13,17,24H,14-16H2,1-3H3
• InChIKey: UPWUOCNVPLQUKN-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 75.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 3225082) is N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccn1)Cc1ccco1)C(=O)C(C(C)C)O2.

What is the InChIKey of N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is UPWUOCNVPLQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17(2)24-25(30)28(21-13-18(3)9-10-22(21)32-24)16-23(29)27(15-20-8-6-12-31-20)14-19-7-4-5-11-26-19/h4-13,17,24H,14-16H2,1-3H3.

What are the key properties of N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?

N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 3225082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).