N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide

C24H29IN4O3 — CID 109416851

About N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide

N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide (PubChem CID 109416851) has the molecular formula C24H29IN4O3 and a molecular weight of 548.43 g/mol. Its IUPAC name is N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

• Compound Name: N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
• PubChem CID: 109416851
• Molecular Formula: C24H29IN4O3
• Molecular Weight: 548.43 g/mol
• Exact Mass: 548.13
• IUPAC Name: N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
• SMILES: CCN/C(=N\Cc1cccc(NC(=O)c2ccco2)c1)NCC(C)(O)c1ccccc1.I
• InChI: InChI=1S/C24H28N4O3.HI/c1-3-25-23(27-17-24(2,30)19-10-5-4-6-11-19)26-16-18-9-7-12-20(15-18)28-22(29)21-13-8-14-31-21;/h4-15,30H,3,16-17H2,1-2H3,(H,28,29)(H2,25,26,27);1H
• InChIKey: AWEMFZWVGOZHCE-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 98.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.43
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	4
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-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?

The IUPAC name of N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide (CID 109416851) is N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide.

What is the SMILES notation for N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?

The canonical SMILES for N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide is CCN/C(=N\Cc1cccc(NC(=O)c2ccco2)c1)NCC(C)(O)c1ccccc1.I.

What is the InChIKey of N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?

The InChIKey is AWEMFZWVGOZHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3.HI/c1-3-25-23(27-17-24(2,30)19-10-5-4-6-11-19)26-16-18-9-7-12-20(15-18)28-22(29)21-13-8-14-31-21;/h4-15,30H,3,16-17H2,1-2H3,(H,28,29)(H2,25,26,27);1H.

What are the key properties of N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?

N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide has a molecular weight of 548.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 109416851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).