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

C14H20F3N3O3 — CID 111471486

IUPAC4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCC1CCCC1O)C(F)(F)F
InChIInChI=1S/C14H20F3N3O3/c1-20-6-5-18-12(20)13(23,14(15,16)17)7-11(22)19-8-9-3-2-4-10(9)21/h5-6,9-10,21,23H,2-4,7-8H2,1H3,(H,19,22)
InChIKeySTAPXEWKXAVDDK-UHFFFAOYSA-N
MW335.33 g/mol
LogP0.84
Rot. Bonds5

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

4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 111471486) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide
PubChem CID111471486
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)NCC1CCCC1O)C(F)(F)F
InChIInChI=1S/C14H20F3N3O3/c1-20-6-5-18-12(20)13(23,14(15,16)17)7-11(22)19-8-9-3-2-4-10(9)21/h5-6,9-10,21,23H,2-4,7-8H2,1H3,(H,19,22)
InChIKeySTAPXEWKXAVDDK-UHFFFAOYSA-N
XLogP0.84
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 50.84
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 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide (CID 111471486) is 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide is Cn1ccnc1C(O)(CC(=O)NCC1CCCC1O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is STAPXEWKXAVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-20-6-5-18-12(20)13(23,14(15,16)17)7-11(22)19-8-9-3-2-4-10(9)21/h5-6,9-10,21,23H,2-4,7-8H2,1H3,(H,19,22).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 335.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 111471486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).