N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C21H23NO5 — CID 30822680

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 30822680) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
• PubChem CID: 30822680
• Molecular Formula: C21H23NO5
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
• SMILES: CC1(C)Cc2cccc(OCC(=O)NCc3ccc4c(c3)OCCO4)c2O1
• InChI: InChI=1S/C21H23NO5/c1-21(2)11-15-4-3-5-17(20(15)27-21)26-13-19(23)22-12-14-6-7-16-18(10-14)25-9-8-24-16/h3-7,10H,8-9,11-13H2,1-2H3,(H,22,23)
• InChIKey: IXMXLUVHKKGGHI-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 30822680) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CC1(C)Cc2cccc(OCC(=O)NCc3ccc4c(c3)OCCO4)c2O1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

The InChIKey is IXMXLUVHKKGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-21(2)11-15-4-3-5-17(20(15)27-21)26-13-19(23)22-12-14-6-7-16-18(10-14)25-9-8-24-16/h3-7,10H,8-9,11-13H2,1-2H3,(H,22,23).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 369.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 30822680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).