2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate

C₁₆H₂₃N₃O₃ — CID 15746255

About 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate

2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate (PubChem CID 15746255) has the molecular formula C₁₆H₂₃N₃O₃ and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate.

Molecular Properties

• Compound Name: 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate
• PubChem CID: 15746255
• Molecular Formula: C₁₆H₂₃N₃O₃
• Molecular Weight: 305.38 g/mol
• Exact Mass: 305.17
• IUPAC Name: 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate
• SMILES: CC(=O)OCC/N=C(\C)Nc1ccccc1N1CCOCC1
• InChI: InChI=1S/C16H23N3O3/c1-13(17-7-10-22-14(2)20)18-15-5-3-4-6-16(15)19-8-11-21-12-9-19/h3-6H,7-12H2,1-2H3,(H,17,18)
• InChIKey: GDRFPNKEGVXWST-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 63.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.38
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?

The IUPAC name of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate (CID 15746255) is 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate.

What is the SMILES notation for 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?

The canonical SMILES for 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate is CC(=O)OCC/N=C(\C)Nc1ccccc1N1CCOCC1.

What is the InChIKey of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?

The InChIKey is GDRFPNKEGVXWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13(17-7-10-22-14(2)20)18-15-5-3-4-6-16(15)19-8-11-21-12-9-19/h3-6H,7-12H2,1-2H3,(H,17,18).

What are the key properties of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?

2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate has a molecular weight of 305.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate is sourced from PubChem (CID 15746255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15746255 — identifiers, structure, computed properties (public domain)

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