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

C16H24F3N3O2 — CID 111448127

IUPACN-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCCC1CCCC(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O2/c1-3-11-5-4-6-12(9-11)21-13(23)10-15(24,16(17,18)19)14-20-7-8-22(14)2/h7-8,11-12,24H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyATPSABQMUANQLH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.65
Rot. Bonds5

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

N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 111448127) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID111448127
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC NameN-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCCC1CCCC(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O2/c1-3-11-5-4-6-12(9-11)21-13(23)10-15(24,16(17,18)19)14-20-7-8-22(14)2/h7-8,11-12,24H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyATPSABQMUANQLH-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 111448127) is N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is CCC1CCCC(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is ATPSABQMUANQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-3-11-5-4-6-12(9-11)21-13(23)10-15(24,16(17,18)19)14-20-7-8-22(14)2/h7-8,11-12,24H,3-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 347.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 111448127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).