N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide

C₁₈H₁₉NO₅ — CID 30350403

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide (PubChem CID 30350403) has the molecular formula C₁₈H₁₉NO₅ and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
• PubChem CID: 30350403
• Molecular Formula: C₁₈H₁₉NO₅
• Molecular Weight: 329.35 g/mol
• Exact Mass: 329.13
• IUPAC Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
• SMILES: CCOc1ccccc1C(=O)NCCOc1ccc2c(c1)OCO2
• InChI: InChI=1S/C18H19NO5/c1-2-21-15-6-4-3-5-14(15)18(20)19-9-10-22-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
• InChIKey: MNVQNJSFNSWPEF-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.35
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?

The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide (CID 30350403) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide.

What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?

The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCOc1ccc2c(c1)OCO2.

What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?

The InChIKey is MNVQNJSFNSWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-2-21-15-6-4-3-5-14(15)18(20)19-9-10-22-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20).

What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide?

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide has a molecular weight of 329.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide is sourced from PubChem (CID 30350403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 30350403 — identifiers, structure, computed properties (public domain)

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