3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide

C₂₀H₃₈IN₅O₂ — CID 111941684

About 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide

3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide (PubChem CID 111941684) has the molecular formula C₂₀H₃₈IN₅O₂ and a molecular weight of 507.46 g/mol. Its IUPAC name is 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide.

Molecular Properties

• Compound Name: 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
• PubChem CID: 111941684
• Molecular Formula: C₂₀H₃₈IN₅O₂
• Molecular Weight: 507.46 g/mol
• Exact Mass: 507.21
• IUPAC Name: 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
• SMILES: CCN/C(=N\CC(c1ccco1)N(CC)CC)NCCC(=O)N(CC)CC.I
• InChI: InChI=1S/C20H37N5O2.HI/c1-6-21-20(22-14-13-19(26)25(9-4)10-5)23-16-17(24(7-2)8-3)18-12-11-15-27-18;/h11-12,15,17H,6-10,13-14,16H2,1-5H3,(H2,21,22,23);1H
• InChIKey: HZCBIWZXIOVNNV-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 73.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.46
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide?

The IUPAC name of 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide (CID 111941684) is 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide.

What is the SMILES notation for 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide?

The canonical SMILES for 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide is CCN/C(=N\CC(c1ccco1)N(CC)CC)NCCC(=O)N(CC)CC.I.

What is the InChIKey of 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide?

The InChIKey is HZCBIWZXIOVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2.HI/c1-6-21-20(22-14-13-19(26)25(9-4)10-5)23-16-17(24(7-2)8-3)18-12-11-15-27-18;/h11-12,15,17H,6-10,13-14,16H2,1-5H3,(H2,21,22,23);1H.

What are the key properties of 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide?

3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide has a molecular weight of 507.46 g/mol, XLogP of 3.09, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide is sourced from PubChem (CID 111941684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111941684 — identifiers, structure, computed properties (public domain)

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