2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide

C₁₈H₁₆N₂O₄ — CID 26678170

About 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide

2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide (PubChem CID 26678170) has the molecular formula C₁₈H₁₆N₂O₄ and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
• PubChem CID: 26678170
• Molecular Formula: C₁₈H₁₆N₂O₄
• Molecular Weight: 324.34 g/mol
• Exact Mass: 324.11
• IUPAC Name: 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
• SMILES: N#Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCCO3)cc1
• InChI: InChI=1S/C18H16N2O4/c19-10-13-1-4-15(5-2-13)24-12-18(21)20-11-14-3-6-16-17(9-14)23-8-7-22-16/h1-6,9H,7-8,11-12H2,(H,20,21)
• InChIKey: FRDWWHHBZBUQIK-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 80.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.34
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?

The IUPAC name of 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide (CID 26678170) is 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide.

What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?

The canonical SMILES for 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide is N#Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCCO3)cc1.

What is the InChIKey of 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?

The InChIKey is FRDWWHHBZBUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c19-10-13-1-4-15(5-2-13)24-12-18(21)20-11-14-3-6-16-17(9-14)23-8-7-22-16/h1-6,9H,7-8,11-12H2,(H,20,21).

What are the key properties of 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?

2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide is sourced from PubChem (CID 26678170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 26678170 — identifiers, structure, computed properties (public domain)

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