2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C13H17F3N2O — CID 79196060

IUPAC2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(7-17-2)12(19)18-8-10-4-3-5-11(6-10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyFHXZVKDLKUXRMW-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 79196060) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID79196060
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(7-17-2)12(19)18-8-10-4-3-5-11(6-10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyFHXZVKDLKUXRMW-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 62671146
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 92801483
(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 95291139
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 79196060) is 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CNCC(C)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is FHXZVKDLKUXRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(7-17-2)12(19)18-8-10-4-3-5-11(6-10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 79196060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).