N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

C26H27N3O4 — CID 22553214

About N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 22553214) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

• Compound Name: N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
• PubChem CID: 22553214
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
• SMILES: CCOc1ccccc1CNC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21
• InChI: InChI=1S/C26H27N3O4/c1-2-32-21-13-7-6-12-20(21)18-28-23(30)15-9-17-29-25-22(14-8-16-27-25)33-24(26(29)31)19-10-4-3-5-11-19/h3-8,10-14,16,24H,2,9,15,17-18H2,1H3,(H,28,30)
• InChIKey: WDZITMKMPCLOEI-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?

The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 22553214) is N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?

The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is CCOc1ccccc1CNC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21.

What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?

The InChIKey is WDZITMKMPCLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-32-21-13-7-6-12-20(21)18-28-23(30)15-9-17-29-25-22(14-8-16-27-25)33-24(26(29)31)19-10-4-3-5-11-19/h3-8,10-14,16,24H,2,9,15,17-18H2,1H3,(H,28,30).

What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?

N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide has a molecular weight of 445.52 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 22553214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).