8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide

C₂₀H₃₃NO₄ — CID 141057465

About 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide

8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide (PubChem CID 141057465) has the molecular formula C₂₀H₃₃NO₄ and a molecular weight of 351.49 g/mol. Its IUPAC name is 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide.

Molecular Properties

• Compound Name: 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
• PubChem CID: 141057465
• Molecular Formula: C₂₀H₃₃NO₄
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.24
• IUPAC Name: 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
• SMILES: COCCCOc1cc(CCCCCCC(C)C(N)=O)ccc1OC
• InChI: InChI=1S/C20H33NO4/c1-16(20(21)22)9-6-4-5-7-10-17-11-12-18(24-3)19(15-17)25-14-8-13-23-2/h11-12,15-16H,4-10,13-14H2,1-3H3,(H2,21,22)
• InChIKey: MSULCFMCRQUNCQ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 70.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?

The IUPAC name of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide (CID 141057465) is 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide.

What is the SMILES notation for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?

The canonical SMILES for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide is COCCCOc1cc(CCCCCCC(C)C(N)=O)ccc1OC.

What is the InChIKey of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?

The InChIKey is MSULCFMCRQUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-16(20(21)22)9-6-4-5-7-10-17-11-12-18(24-3)19(15-17)25-14-8-13-23-2/h11-12,15-16H,4-10,13-14H2,1-3H3,(H2,21,22).

What are the key properties of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?

8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide has a molecular weight of 351.49 g/mol, XLogP of 3.72, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide is sourced from PubChem (CID 141057465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141057465 — identifiers, structure, computed properties (public domain)

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