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

C16H24F3N3O2 — CID 47789086

IUPAC2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C16H24F3N3O2/c1-22-10-9-21-14(22)15(24,16(17,18)19)7-8-20-13(23)11-12-5-3-2-4-6-12/h9-10,12,24H,2-8,11H2,1H3,(H,20,23)
InChIKeyBLBUUITVVKTAST-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.65
Rot. Bonds6

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

2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 47789086) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
PubChem CID47789086
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C16H24F3N3O2/c1-22-10-9-21-14(22)15(24,16(17,18)19)7-8-20-13(23)11-12-5-3-2-4-6-12/h9-10,12,24H,2-8,11H2,1H3,(H,20,23)
InChIKeyBLBUUITVVKTAST-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (CID 47789086) is 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is Cn1ccnc1C(O)(CCNC(=O)CC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The InChIKey is BLBUUITVVKTAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-22-10-9-21-14(22)15(24,16(17,18)19)7-8-20-13(23)11-12-5-3-2-4-6-12/h9-10,12,24H,2-8,11H2,1H3,(H,20,23).
What are the key properties of 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 47789086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).