N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide

C₂₀H₃₁NO₂ — CID 10870843

About N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide

N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide (PubChem CID 10870843) has the molecular formula C₂₀H₃₁NO₂ and a molecular weight of 317.47 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide.

Molecular Properties

• Compound Name: N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide
• PubChem CID: 10870843
• Molecular Formula: C₂₀H₃₁NO₂
• Molecular Weight: 317.47 g/mol
• Exact Mass: 317.24
• IUPAC Name: N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide
• SMILES: CCCCCCOc1ccc(C(=O)NC2CCC(C)(C)C2)cc1
• InChI: InChI=1S/C20H31NO2/c1-4-5-6-7-14-23-18-10-8-16(9-11-18)19(22)21-17-12-13-20(2,3)15-17/h8-11,17H,4-7,12-15H2,1-3H3,(H,21,22)
• InChIKey: SPDGMSMRHOXECU-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.47
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?

The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide (CID 10870843) is N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide.

What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?

The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NC2CCC(C)(C)C2)cc1.

What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?

The InChIKey is SPDGMSMRHOXECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-5-6-7-14-23-18-10-8-16(9-11-18)19(22)21-17-12-13-20(2,3)15-17/h8-11,17H,4-7,12-15H2,1-3H3,(H,21,22).

What are the key properties of N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?

N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide has a molecular weight of 317.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide is sourced from PubChem (CID 10870843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10870843 — identifiers, structure, computed properties (public domain)

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