2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide

C20H33FIN5O2 — CID 111930853

About 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide

2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide (PubChem CID 111930853) has the molecular formula C20H33FIN5O2 and a molecular weight of 521.42 g/mol. Its IUPAC name is 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
• PubChem CID: 111930853
• Molecular Formula: C20H33FIN5O2
• Molecular Weight: 521.42 g/mol
• Exact Mass: 521.17
• IUPAC Name: 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
• SMILES: CCN/C(=N\CC(=O)Nc1cccc(F)c1)NCC(C(C)C)N1CCOCC1.I
• InChI: InChI=1S/C20H32FN5O2.HI/c1-4-22-20(23-13-18(15(2)3)26-8-10-28-11-9-26)24-14-19(27)25-17-7-5-6-16(21)12-17;/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3,(H,25,27)(H2,22,23,24);1H
• InChIKey: MSOJDUYRLZIIOS-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 77.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.42
LogP ≤ 5	2.29
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 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?

The IUPAC name of 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide (CID 111930853) is 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide.

What is the SMILES notation for 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?

The canonical SMILES for 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1cccc(F)c1)NCC(C(C)C)N1CCOCC1.I.

What is the InChIKey of 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?

The InChIKey is MSOJDUYRLZIIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5O2.HI/c1-4-22-20(23-13-18(15(2)3)26-8-10-28-11-9-26)24-14-19(27)25-17-7-5-6-16(21)12-17;/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3,(H,25,27)(H2,22,23,24);1H.

What are the key properties of 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?

2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide has a molecular weight of 521.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111930853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).