N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide

C15H20F3NO3 — CID 111543293

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H20F3NO3/c1-10(13(20)19(4)9-14(2,3)21)22-12-8-6-5-7-11(12)15(16,17)18/h5-8,10,21H,9H2,1-4H3
InChIKeyIDRIKQRRTIGBBS-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.70
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 111543293) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID111543293
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H20F3NO3/c1-10(13(20)19(4)9-14(2,3)21)22-12-8-6-5-7-11(12)15(16,17)18/h5-8,10,21H,9H2,1-4H3
InChIKeyIDRIKQRRTIGBBS-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663126
3-[ethyl-[2-[2-(trifluoromethyl)phenoxy]propanoyl]amino]propanoic acid
CID 119191521
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 111663070
N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119552820
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86934031
1-[2-(trifluoromethyl)phenoxy]ethyl acetate
CID 69255536
methyl 3-[2-(trifluoromethyl)phenoxy]butanoate
CID 43536036

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 111543293) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide is CC(Oc1ccccc1C(F)(F)F)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is IDRIKQRRTIGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-10(13(20)19(4)9-14(2,3)21)22-12-8-6-5-7-11(12)15(16,17)18/h5-8,10,21H,9H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 319.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 111543293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).