4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide

C15H22F3N3O3 — CID 110024063

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c1-21-8-7-20-13(21)14(23,15(16,17)18)10-12(22)19-6-5-11-4-2-3-9-24-11/h7-8,11,23H,2-6,9-10H2,1H3,(H,19,22)
InChIKeyZOIHYLHKMHSULF-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.64
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide (PubChem CID 110024063) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide
PubChem CID110024063
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c1-21-8-7-20-13(21)14(23,15(16,17)18)10-12(22)19-6-5-11-4-2-3-9-24-11/h7-8,11,23H,2-6,9-10H2,1H3,(H,19,22)
InChIKeyZOIHYLHKMHSULF-UHFFFAOYSA-N
XLogP1.64
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[2-(oxan-2-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide (CID 110024063) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide is Cn1ccnc1C(O)(CC(=O)NCCC1CCCCO1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide?
The InChIKey is ZOIHYLHKMHSULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-21-8-7-20-13(21)14(23,15(16,17)18)10-12(22)19-6-5-11-4-2-3-9-24-11/h7-8,11,23H,2-6,9-10H2,1H3,(H,19,22).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide has a molecular weight of 349.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(oxan-2-yl)ethyl]butanamide is sourced from PubChem (CID 110024063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).