4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide

C24H28N2O6 — CID 42846775

About 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide

4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide (PubChem CID 42846775) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide.

Molecular Properties

• Compound Name: 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
• PubChem CID: 42846775
• Molecular Formula: C24H28N2O6
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.19
• IUPAC Name: 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
• SMILES: COc1cccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC(C)C)C(=O)CO3)c1
• InChI: InChI=1S/C24H28N2O6/c1-16(2)25-23(28)8-5-11-26-20-12-17(9-10-22(20)32-15-24(26)29)21(27)14-31-19-7-4-6-18(13-19)30-3/h4,6-7,9-10,12-13,16H,5,8,11,14-15H2,1-3H3,(H,25,28)
• InChIKey: MPDARKNWJPKMNM-UHFFFAOYSA-N
• XLogP: 2.99
• 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	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?

The IUPAC name of 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide (CID 42846775) is 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide.

What is the SMILES notation for 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?

The canonical SMILES for 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide is COc1cccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC(C)C)C(=O)CO3)c1.

What is the InChIKey of 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?

The InChIKey is MPDARKNWJPKMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-16(2)25-23(28)8-5-11-26-20-12-17(9-10-22(20)32-15-24(26)29)21(27)14-31-19-7-4-6-18(13-19)30-3/h4,6-7,9-10,12-13,16H,5,8,11,14-15H2,1-3H3,(H,25,28).

What are the key properties of 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?

4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide has a molecular weight of 440.50 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 42846775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).