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

C15H22F3N3O3 — CID 109491553

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide
SMILESCCC(NC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CCCO1
InChIInChI=1S/C15H22F3N3O3/c1-3-10(11-5-4-8-24-11)20-12(22)9-14(23,15(16,17)18)13-19-6-7-21(13)2/h6-7,10-11,23H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyRHAUYNCHRLSGCN-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.63
Rot. Bonds6

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

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide (PubChem CID 109491553) 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-[1-(oxolan-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide
PubChem CID109491553
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide
SMILESCCC(NC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CCCO1
InChIInChI=1S/C15H22F3N3O3/c1-3-10(11-5-4-8-24-11)20-12(22)9-14(23,15(16,17)18)13-19-6-7-21(13)2/h6-7,10-11,23H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyRHAUYNCHRLSGCN-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-[1-(oxolan-2-yl)propyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide (CID 109491553) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide is CCC(NC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CCCO1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide?
The InChIKey is RHAUYNCHRLSGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-3-10(11-5-4-8-24-11)20-12(22)9-14(23,15(16,17)18)13-19-6-7-21(13)2/h6-7,10-11,23H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[1-(oxolan-2-yl)propyl]butanamide has a molecular weight of 349.35 g/mol, XLogP of 1.63, 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-[1-(oxolan-2-yl)propyl]butanamide is sourced from PubChem (CID 109491553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).