N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C15H20F3NO3 — CID 95987114

IUPACN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC[C@@](C)(O)CNC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3/c1-14(21,10-22-2)9-19-13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,21H,5,8-10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyZANXWQOSMYMUHF-AWEZNQCLSA-N
MW319.32 g/mol
LogP2.15
Rot. Bonds7

About N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 95987114) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID95987114
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC NameN-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC[C@@](C)(O)CNC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3/c1-14(21,10-22-2)9-19-13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,21H,5,8-10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyZANXWQOSMYMUHF-AWEZNQCLSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287
N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65114973
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
CID 86264329
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97428425
4-[3-(4-ethylphenyl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002697
N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide
CID 122243919
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461113

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 95987114) is N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is COC[C@@](C)(O)CNC(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZANXWQOSMYMUHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-14(21,10-22-2)9-19-13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,21H,5,8-10H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 319.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 95987114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).