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

C24H28N2O6 — CID 42846777

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

N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide (PubChem CID 42846777) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide.

Molecular Properties

• Compound Name: N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
• PubChem CID: 42846777
• Molecular Formula: C24H28N2O6
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.19
• IUPAC Name: N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
• SMILES: CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccc(C)cc3OC)cc21
• InChI: InChI=1S/C24H28N2O6/c1-4-25-23(28)6-5-11-26-18-13-17(8-10-20(18)32-15-24(26)29)19(27)14-31-21-9-7-16(2)12-22(21)30-3/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,25,28)
• InChIKey: YMYOASXGWSVEOV-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide (CID 42846777) is N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide.

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

The canonical SMILES for N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide is CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccc(C)cc3OC)cc21.

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

The InChIKey is YMYOASXGWSVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-4-25-23(28)6-5-11-26-18-13-17(8-10-20(18)32-15-24(26)29)19(27)14-31-21-9-7-16(2)12-22(21)30-3/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,25,28).

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

N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide has a molecular weight of 440.50 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide is sourced from PubChem (CID 42846777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).