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

C26H30N2O6 — CID 46035563

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

N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 46035563) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide
• PubChem CID: 46035563
• Molecular Formula: C26H30N2O6
• Molecular Weight: 466.53 g/mol
• Exact Mass: 466.21
• IUPAC Name: N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide
• SMILES: COc1cc(C)ccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CO2
• InChI: InChI=1S/C26H30N2O6/c1-17-8-10-23(24(12-17)32-2)33-15-21(29)18-9-11-22-20(13-18)28(26(31)16-34-22)14-25(30)27-19-6-4-3-5-7-19/h8-13,19H,3-7,14-16H2,1-2H3,(H,27,30)
• InChIKey: WEEJKUIKUVBELC-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.53
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 46035563) is N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide.

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

The canonical SMILES for N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide is COc1cc(C)ccc1OCC(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CO2.

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

The InChIKey is WEEJKUIKUVBELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-17-8-10-23(24(12-17)32-2)33-15-21(29)18-9-11-22-20(13-18)28(26(31)16-34-22)14-25(30)27-19-6-4-3-5-7-19/h8-13,19H,3-7,14-16H2,1-2H3,(H,27,30).

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

N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 466.53 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 46035563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).