4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide

C15H23F3N4O3 — CID 47020032

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C15H23F3N4O3/c1-21-6-4-20-13(21)14(24,15(16,17)18)11-12(23)19-3-2-5-22-7-9-25-10-8-22/h4,6,24H,2-3,5,7-11H2,1H3,(H,19,23)
InChIKeyOIAVSMMWJMBEMS-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.40
Rot. Bonds7

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 47020032) has the molecular formula C15H23F3N4O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID47020032
Molecular FormulaC15H23F3N4O3
Molecular Weight364.37 g/mol
Exact Mass364.17
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C15H23F3N4O3/c1-21-6-4-20-13(21)14(24,15(16,17)18)11-12(23)19-3-2-5-22-7-9-25-10-8-22/h4,6,24H,2-3,5,7-11H2,1H3,(H,19,23)
InChIKeyOIAVSMMWJMBEMS-UHFFFAOYSA-N
XLogP0.40
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide (CID 47020032) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide is Cn1ccnc1C(O)(CC(=O)NCCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is OIAVSMMWJMBEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O3/c1-21-6-4-20-13(21)14(24,15(16,17)18)11-12(23)19-3-2-5-22-7-9-25-10-8-22/h4,6,24H,2-3,5,7-11H2,1H3,(H,19,23).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 364.37 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 47020032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).