(2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide

C17H24F3NO3 — CID 70558489

IUPAC(2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide
SMILESCCCC[C@H](C(=O)N[C@](O)(CCOC)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H24F3NO3/c1-3-4-10-14(17(18,19)20)15(22)21-16(23,11-12-24-2)13-8-6-5-7-9-13/h5-9,14,23H,3-4,10-12H2,1-2H3,(H,21,22)/t14-,16+/m1/s1
InChIKeyFJDNMPIRDJAHEC-ZBFHGGJFSA-N
MW347.38 g/mol
LogP3.35
Rot. Bonds9

About (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide

(2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide (PubChem CID 70558489) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide
PubChem CID70558489
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name(2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide
SMILESCCCC[C@H](C(=O)N[C@](O)(CCOC)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H24F3NO3/c1-3-4-10-14(17(18,19)20)15(22)21-16(23,11-12-24-2)13-8-6-5-7-9-13/h5-9,14,23H,3-4,10-12H2,1-2H3,(H,21,22)/t14-,16+/m1/s1
InChIKeyFJDNMPIRDJAHEC-ZBFHGGJFSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Trifluoroacetamidophenylethanol
CID 129800673
N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
CID 134858821
N-(1,3-dihydroxy-1-phenylpropyl)-2,2,2-trifluoroacetamide
CID 20374860
(2R)-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-2-(trifluoromethyl)hexanamide
CID 57005015
N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide
CID 69471861
(2S)-N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-2-(trifluoromethyl)hexanamide
CID 70557812
(2S)-N-[(1R,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-2-(trifluoromethyl)hexanamide
CID 70557813
(2S)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide
CID 70557815
N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-N-(trifluoromethyl)hexanamide
CID 70557988
(2R)-N-[(1R,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-2-(trifluoromethyl)hexanamide
CID 70558487
(2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-methyl-2-(trifluoromethyl)hexanamide
CID 70560235
(2S)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-methyl-2-(trifluoromethyl)hexanamide
CID 70560607

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide?
The IUPAC name of (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide (CID 70558489) is (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide?
The canonical SMILES for (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide is CCCC[C@H](C(=O)N[C@](O)(CCOC)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide?
The InChIKey is FJDNMPIRDJAHEC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-3-4-10-14(17(18,19)20)15(22)21-16(23,11-12-24-2)13-8-6-5-7-9-13/h5-9,14,23H,3-4,10-12H2,1-2H3,(H,21,22)/t14-,16+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide?
(2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide has a molecular weight of 347.38 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-hydroxy-3-methoxy-1-phenylpropyl]-2-(trifluoromethyl)hexanamide is sourced from PubChem (CID 70558489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).