N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide

C24H35IN4O4 — CID 111662136

About N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide

N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide (PubChem CID 111662136) has the molecular formula C24H35IN4O4 and a molecular weight of 570.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
• PubChem CID: 111662136
• Molecular Formula: C24H35IN4O4
• Molecular Weight: 570.47 g/mol
• Exact Mass: 570.17
• IUPAC Name: N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
• SMILES: CCN/C(=N\Cc1cccc(OCC(=O)NC2CC2)c1)NCC(C)(O)c1cc(C)oc1C.I
• InChI: InChI=1S/C24H34N4O4.HI/c1-5-25-23(27-15-24(4,30)21-11-16(2)32-17(21)3)26-13-18-7-6-8-20(12-18)31-14-22(29)28-19-9-10-19;/h6-8,11-12,19,30H,5,9-10,13-15H2,1-4H3,(H,28,29)(H2,25,26,27);1H
• InChIKey: NCQZKGJKYSPTLV-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 108.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.47
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

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-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide?

The IUPAC name of N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide (CID 111662136) is N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide.

What is the SMILES notation for N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide?

The canonical SMILES for N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide is CCN/C(=N\Cc1cccc(OCC(=O)NC2CC2)c1)NCC(C)(O)c1cc(C)oc1C.I.

What is the InChIKey of N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide?

The InChIKey is NCQZKGJKYSPTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4.HI/c1-5-25-23(27-15-24(4,30)21-11-16(2)32-17(21)3)26-13-18-7-6-8-20(12-18)31-14-22(29)28-19-9-10-19;/h6-8,11-12,19,30H,5,9-10,13-15H2,1-4H3,(H,28,29)(H2,25,26,27);1H.

What are the key properties of N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide?

N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide has a molecular weight of 570.47 g/mol, XLogP of 3.13, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[3-[[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide is sourced from PubChem (CID 111662136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).