2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C26H30N2O6 — CID 46034732

About 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 46034732) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
• PubChem CID: 46034732
• Molecular Formula: C26H30N2O6
• Molecular Weight: 466.53 g/mol
• Exact Mass: 466.21
• IUPAC Name: 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
• SMILES: Cc1cccc(OCC(=O)c2ccc3c(c2)N(C(C)C(=O)NCC2CCCO2)C(=O)CO3)c1C
• InChI: InChI=1S/C26H30N2O6/c1-16-6-4-8-23(17(16)2)33-14-22(29)19-9-10-24-21(12-19)28(25(30)15-34-24)18(3)26(31)27-13-20-7-5-11-32-20/h4,6,8-10,12,18,20H,5,7,11,13-15H2,1-3H3,(H,27,31)
• InChIKey: GDYHILCGWAELGH-UHFFFAOYSA-N
• XLogP: 2.97
• 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	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 46034732) is 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

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

The canonical SMILES for 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1cccc(OCC(=O)c2ccc3c(c2)N(C(C)C(=O)NCC2CCCO2)C(=O)CO3)c1C.

What is the InChIKey of 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?

The InChIKey is GDYHILCGWAELGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-16-6-4-8-23(17(16)2)33-14-22(29)19-9-10-24-21(12-19)28(25(30)15-34-24)18(3)26(31)27-13-20-7-5-11-32-20/h4,6,8-10,12,18,20H,5,7,11,13-15H2,1-3H3,(H,27,31).

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

2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 466.53 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 46034732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).