N-[3-(4-oxopentoxy)phenyl]acetamide

C₁₃H₁₇NO₃ — CID 62030070

About N-[3-(4-oxopentoxy)phenyl]acetamide

N-[3-(4-oxopentoxy)phenyl]acetamide (PubChem CID 62030070) has the molecular formula C₁₃H₁₇NO₃ and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[3-(4-oxopentoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-(4-oxopentoxy)phenyl]acetamide
• PubChem CID: 62030070
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.28 g/mol
• Exact Mass: 235.12
• IUPAC Name: N-[3-(4-oxopentoxy)phenyl]acetamide
• SMILES: CC(=O)CCCOc1cccc(NC(C)=O)c1
• InChI: InChI=1S/C13H17NO3/c1-10(15)5-4-8-17-13-7-3-6-12(9-13)14-11(2)16/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16)
• InChIKey: YNVDGENTWKMFTB-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.28
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxopentoxy)phenyl]acetamide?

The IUPAC name of N-[3-(4-oxopentoxy)phenyl]acetamide (CID 62030070) is N-[3-(4-oxopentoxy)phenyl]acetamide.

What is the SMILES notation for N-[3-(4-oxopentoxy)phenyl]acetamide?

The canonical SMILES for N-[3-(4-oxopentoxy)phenyl]acetamide is CC(=O)CCCOc1cccc(NC(C)=O)c1.

What is the InChIKey of N-[3-(4-oxopentoxy)phenyl]acetamide?

The InChIKey is YNVDGENTWKMFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)5-4-8-17-13-7-3-6-12(9-13)14-11(2)16/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16).

What are the key properties of N-[3-(4-oxopentoxy)phenyl]acetamide?

N-[3-(4-oxopentoxy)phenyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-oxopentoxy)phenyl]acetamide is sourced from PubChem (CID 62030070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62030070 — identifiers, structure, computed properties (public domain)

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