N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide

C₂₀H₂₉N₃O₂ — CID 762046

About N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide

N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 762046) has the molecular formula C₂₀H₂₉N₃O₂ and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
• PubChem CID: 762046
• Molecular Formula: C₂₀H₂₉N₃O₂
• Molecular Weight: 343.47 g/mol
• Exact Mass: 343.23
• IUPAC Name: N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
• SMILES: O=C(NN=C1CCCCCCC1)c1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C20H29N3O2/c24-20(22-21-19-6-4-2-1-3-5-7-19)18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h8-11H,1-7,12-16H2,(H,22,24)
• InChIKey: GWTQOVPVUWJTBM-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.47
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?

The IUPAC name of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide (CID 762046) is N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide.

What is the SMILES notation for N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?

The canonical SMILES for N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide is O=C(NN=C1CCCCCCC1)c1ccc(CN2CCOCC2)cc1.

What is the InChIKey of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?

The InChIKey is GWTQOVPVUWJTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(22-21-19-6-4-2-1-3-5-7-19)18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h8-11H,1-7,12-16H2,(H,22,24).

What are the key properties of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?

N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 343.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 762046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 762046 — identifiers, structure, computed properties (public domain)

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