2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C₂₀H₂₀N₂O₆ — CID 17310325

About 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 17310325) has the molecular formula C₂₀H₂₀N₂O₆ and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
• PubChem CID: 17310325
• Molecular Formula: C₂₀H₂₀N₂O₆
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.13
• IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
• SMILES: O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)N1CCOCC1
• InChI: InChI=1S/C20H20N2O6/c23-19(12-26-14-5-6-17-18(11-14)28-13-27-17)21-16-4-2-1-3-15(16)20(24)22-7-9-25-10-8-22/h1-6,11H,7-10,12-13H2,(H,21,23)
• InChIKey: NRMISOZWMYIWEM-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?

The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 17310325) is 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?

The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)N1CCOCC1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?

The InChIKey is NRMISOZWMYIWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c23-19(12-26-14-5-6-17-18(11-14)28-13-27-17)21-16-4-2-1-3-15(16)20(24)22-7-9-25-10-8-22/h1-6,11H,7-10,12-13H2,(H,21,23).

What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?

2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 384.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17310325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17310325 — identifiers, structure, computed properties (public domain)

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