[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

C23H25NO6 — CID 7855699

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (PubChem CID 7855699) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.

Molecular Properties

• Compound Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
• PubChem CID: 7855699
• Molecular Formula: C23H25NO6
• Molecular Weight: 411.45 g/mol
• Exact Mass: 411.17
• IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
• SMILES: CCC(=O)Nc1ccc(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1
• InChI: InChI=1S/C23H25NO6/c1-4-20(26)24-17-10-8-15(9-11-17)18(25)13-29-21(27)14-28-19-7-5-6-16-12-23(2,3)30-22(16)19/h5-11H,4,12-14H2,1-3H3,(H,24,26)
• InChIKey: SUONOCVTCHQZFN-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 90.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.45
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (CID 7855699) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.

What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is CCC(=O)Nc1ccc(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1.

What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

The InChIKey is SUONOCVTCHQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-4-20(26)24-17-10-8-15(9-11-17)18(25)13-29-21(27)14-28-19-7-5-6-16-12-23(2,3)30-22(16)19/h5-11H,4,12-14H2,1-3H3,(H,24,26).

What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate has a molecular weight of 411.45 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is sourced from PubChem (CID 7855699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).