N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide

C13H20F3N3O2 — CID 110906388

IUPACN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide
SMILESCCCCC(=O)NCCC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-3-4-5-10(20)17-7-6-12(21,13(14,15)16)11-18-8-9-19(11)2/h8-9,21H,3-7H2,1-2H3,(H,17,20)
InChIKeyDOSRWOBOJZFWGN-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.87
Rot. Bonds7

About N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide

N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide (PubChem CID 110906388) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide.

Molecular Properties

Compound NameN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide
PubChem CID110906388
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide
SMILESCCCCC(=O)NCCC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-3-4-5-10(20)17-7-6-12(21,13(14,15)16)11-18-8-9-19(11)2/h8-9,21H,3-7H2,1-2H3,(H,17,20)
InChIKeyDOSRWOBOJZFWGN-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide?
The IUPAC name of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide (CID 110906388) is N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide.
What is the SMILES notation for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide?
The canonical SMILES for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide is CCCCC(=O)NCCC(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide?
The InChIKey is DOSRWOBOJZFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-3-4-5-10(20)17-7-6-12(21,13(14,15)16)11-18-8-9-19(11)2/h8-9,21H,3-7H2,1-2H3,(H,17,20).
What are the key properties of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide?
N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide has a molecular weight of 307.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pentanamide is sourced from PubChem (CID 110906388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).