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

C15H22F3N3O3 — CID 111426224

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCC(O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c1-21-7-6-19-13(21)14(24,15(16,17)18)8-12(23)20-9-11(22)10-4-2-3-5-10/h6-7,10-11,22,24H,2-5,8-9H2,1H3,(H,20,23)
InChIKeyMAUVOFMHCVQRDF-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.23
Rot. Bonds6

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

N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 111426224) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID111426224
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCC(O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c1-21-7-6-19-13(21)14(24,15(16,17)18)8-12(23)20-9-11(22)10-4-2-3-5-10/h6-7,10-11,22,24H,2-5,8-9H2,1H3,(H,20,23)
InChIKeyMAUVOFMHCVQRDF-UHFFFAOYSA-N
XLogP1.23
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-trifluoro-3-hydroxy-N-(4-methylcyclohexyl)-3-(1-methylimidazol-2-yl)butanamide
CID 45804408
4,4,4-trifluoro-3-hydroxy-N-(2-methylcyclohexyl)-3-(1-methylimidazol-2-yl)butanamide
CID 45805355
2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 75430289
(3R)-3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 122546696
(3S,4R)-3-hydroxy-4-methyl-5-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]pentanamide
CID 122601126
3-Hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one
CID 154967396
3-[1-(Difluoromethyl)imidazol-2-yl]-3-hydroxy-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 162569400
N-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butanamide
CID 45804399
4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(1-methylimidazol-2-yl)butanamide
CID 45804410
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)butanamide
CID 45804413
N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 45804416
N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 45804417

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 111426224) is N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is Cn1ccnc1C(O)(CC(=O)NCC(O)C1CCCC1)C(F)(F)F.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is MAUVOFMHCVQRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-21-7-6-19-13(21)14(24,15(16,17)18)8-12(23)20-9-11(22)10-4-2-3-5-10/h6-7,10-11,22,24H,2-5,8-9H2,1H3,(H,20,23).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 349.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 111426224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).