2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C25H23N3O5 — CID 42847198

About 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 42847198) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 42847198
• Molecular Formula: C25H23N3O5
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.16
• IUPAC Name: 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCc2ccccn2)C(=O)CO3)cc1
• InChI: InChI=1S/C25H23N3O5/c1-17-5-8-20(9-6-17)32-15-22(29)18-7-10-23-21(12-18)28(25(31)16-33-23)14-24(30)27-13-19-4-2-3-11-26-19/h2-12H,13-16H2,1H3,(H,27,30)
• InChIKey: FDTDPXKEOXDQGK-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 42847198) is 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCc2ccccn2)C(=O)CO3)cc1.

What is the InChIKey of 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is FDTDPXKEOXDQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-17-5-8-20(9-6-17)32-15-22(29)18-7-10-23-21(12-18)28(25(31)16-33-23)14-24(30)27-13-19-4-2-3-11-26-19/h2-12H,13-16H2,1H3,(H,27,30).

What are the key properties of 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?

2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 445.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 42847198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).