N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide

C₁₈H₂₄N₄O₂ — CID 74240570

About N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide

N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 74240570) has the molecular formula C₁₈H₂₄N₄O₂ and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

• Compound Name: N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
• PubChem CID: 74240570
• Molecular Formula: C₁₈H₂₄N₄O₂
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.19
• IUPAC Name: N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
• SMILES: O=C(NCCCOC1CCCCC1)c1ccccc1-c1ncn[nH]1
• InChI: InChI=1S/C18H24N4O2/c23-18(19-11-6-12-24-14-7-2-1-3-8-14)16-10-5-4-9-15(16)17-20-13-21-22-17/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,19,23)(H,20,21,22)
• InChIKey: XDGRFUXWRFVLDV-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
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 N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?

The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 74240570) is N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide.

What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?

The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NCCCOC1CCCCC1)c1ccccc1-c1ncn[nH]1.

What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?

The InChIKey is XDGRFUXWRFVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(19-11-6-12-24-14-7-2-1-3-8-14)16-10-5-4-9-15(16)17-20-13-21-22-17/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,19,23)(H,20,21,22).

What are the key properties of N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?

N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 74240570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 74240570 — identifiers, structure, computed properties (public domain)

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