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

C16H24F3N3O2 — CID 47789123

IUPAC3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
SMILESCn1ccnc1C(O)(CCNC(=O)CCC1CCCC1)C(F)(F)F
InChIInChI=1S/C16H24F3N3O2/c1-22-11-10-21-14(22)15(24,16(17,18)19)8-9-20-13(23)7-6-12-4-2-3-5-12/h10-12,24H,2-9H2,1H3,(H,20,23)
InChIKeyQEYUVEPDURYAJQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.65
Rot. Bonds7

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

3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide (PubChem CID 47789123) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
PubChem CID47789123
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
SMILESCn1ccnc1C(O)(CCNC(=O)CCC1CCCC1)C(F)(F)F
InChIInChI=1S/C16H24F3N3O2/c1-22-11-10-21-14(22)15(24,16(17,18)19)8-9-20-13(23)7-6-12-4-2-3-5-12/h10-12,24H,2-9H2,1H3,(H,20,23)
InChIKeyQEYUVEPDURYAJQ-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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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
(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
CID 95627590
2-cyclopentyl-6-fluoro-2-hydroxy-N-(2-imidazol-1-ylethyl)heptanamide
CID 44482089
2-cyclopentyl-6-fluoro-2-hydroxy-N-[2-(2-methylimidazol-1-yl)ethyl]heptanamide
CID 140147939
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
N-butan-2-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 45805313
N-(cyclopropylmethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 45807187

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide (CID 47789123) is 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide is Cn1ccnc1C(O)(CCNC(=O)CCC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
The InChIKey is QEYUVEPDURYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-22-11-10-21-14(22)15(24,16(17,18)19)8-9-20-13(23)7-6-12-4-2-3-5-12/h10-12,24H,2-9H2,1H3,(H,20,23).
What are the key properties of 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide?
3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide has a molecular weight of 347.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide is sourced from PubChem (CID 47789123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).