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

C14H18F3NO2 — CID 99829185

IUPAC(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOC[C@H](C)C(=O)NCc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3NO2/c1-9-6-12(14(15,16)17)5-4-11(9)7-18-13(19)10(2)8-20-3/h4-6,10H,7-8H2,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyZECNXZCMUJUNJF-JTQLQIEISA-N
MW289.30 g/mol
LogP2.91
Rot. Bonds5

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

(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 99829185) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID99829185
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOC[C@H](C)C(=O)NCc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3NO2/c1-9-6-12(14(15,16)17)5-4-11(9)7-18-13(19)10(2)8-20-3/h4-6,10H,7-8H2,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyZECNXZCMUJUNJF-JTQLQIEISA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829225
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
2-cyano-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 99830862
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]urea
CID 154744208
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
2-amino-3-methoxy-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 120988650
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
CID 172506919
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
4-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509707
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147
2-methyl-N-[[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]propanamide
CID 140639015

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide (CID 99829185) is (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide is COC[C@H](C)C(=O)NCc1ccc(C(F)(F)F)cc1C.
What is the InChIKey of (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is ZECNXZCMUJUNJF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9-6-12(14(15,16)17)5-4-11(9)7-18-13(19)10(2)8-20-3/h4-6,10H,7-8H2,1-3H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 289.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 99829185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).