2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride

C15H24ClF3N4O3 — CID 119710702

About 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride

2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride (PubChem CID 119710702) has the molecular formula C15H24ClF3N4O3 and a molecular weight of 400.83 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride
• PubChem CID: 119710702
• Molecular Formula: C15H24ClF3N4O3
• Molecular Weight: 400.83 g/mol
• Exact Mass: 400.15
• IUPAC Name: 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride
• SMILES: Cl.Cn1ccnc1C(O)(CCNC(=O)CNCC1CCCO1)C(F)(F)F
• InChI: InChI=1S/C15H23F3N4O3.ClH/c1-22-7-6-21-13(22)14(24,15(16,17)18)4-5-20-12(23)10-19-9-11-3-2-8-25-11;/h6-7,11,19,24H,2-5,8-10H2,1H3,(H,20,23);1H
• InChIKey: JJCXRXFCUSTZKS-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 88.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.83
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride (CID 119710702) is 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride.

What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride is Cl.Cn1ccnc1C(O)(CCNC(=O)CNCC1CCCO1)C(F)(F)F.

What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

The InChIKey is JJCXRXFCUSTZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O3.ClH/c1-22-7-6-21-13(22)14(24,15(16,17)18)4-5-20-12(23)10-19-9-11-3-2-8-25-11;/h6-7,11,19,24H,2-5,8-10H2,1H3,(H,20,23);1H.

What are the key properties of 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride has a molecular weight of 400.83 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(oxolan-2-ylmethylamino)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride is sourced from PubChem (CID 119710702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).