N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide

C24H36IN5O2 — CID 111304344

About N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide

N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide (PubChem CID 111304344) has the molecular formula C24H36IN5O2 and a molecular weight of 553.49 g/mol. Its IUPAC name is N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide
• PubChem CID: 111304344
• Molecular Formula: C24H36IN5O2
• Molecular Weight: 553.49 g/mol
• Exact Mass: 553.19
• IUPAC Name: N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide
• SMILES: CCNC(=O)c1cccc(C/N=C(\NCC)NCC(c2ccco2)N2CCCCC2)c1.I
• InChI: InChI=1S/C24H35N5O2.HI/c1-3-25-23(30)20-11-8-10-19(16-20)17-27-24(26-4-2)28-18-21(22-12-9-15-31-22)29-13-6-5-7-14-29;/h8-12,15-16,21H,3-7,13-14,17-18H2,1-2H3,(H,25,30)(H2,26,27,28);1H
• InChIKey: WGFONTIIMQYTGG-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 81.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
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 N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide?

The IUPAC name of N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide (CID 111304344) is N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide.

What is the SMILES notation for N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide?

The canonical SMILES for N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide is CCNC(=O)c1cccc(C/N=C(\NCC)NCC(c2ccco2)N2CCCCC2)c1.I.

What is the InChIKey of N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide?

The InChIKey is WGFONTIIMQYTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2.HI/c1-3-25-23(30)20-11-8-10-19(16-20)17-27-24(26-4-2)28-18-21(22-12-9-15-31-22)29-13-6-5-7-14-29;/h8-12,15-16,21H,3-7,13-14,17-18H2,1-2H3,(H,25,30)(H2,26,27,28);1H.

What are the key properties of N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide?

N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide has a molecular weight of 553.49 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]benzamide;hydroiodide is sourced from PubChem (CID 111304344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).