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

C16H24ClF3N2O — CID 119771425

IUPAC2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-11(9-20-4)14(22)21-10-15(2,3)12-6-5-7-13(8-12)16(17,18)19;/h5-8,11,20H,9-10H2,1-4H3,(H,21,22);1H
InChIKeyHKEDWSOCEHVLMR-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.38
Rot. Bonds6

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

2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride (PubChem CID 119771425) has the molecular formula C16H24ClF3N2O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
PubChem CID119771425
Molecular FormulaC16H24ClF3N2O
Molecular Weight352.83 g/mol
Exact Mass352.15
IUPAC Name2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-11(9-20-4)14(22)21-10-15(2,3)12-6-5-7-13(8-12)16(17,18)19;/h5-8,11,20H,9-10H2,1-4H3,(H,21,22);1H
InChIKeyHKEDWSOCEHVLMR-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 95285499
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
(2S)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95334304
1-(3-hydroxybutyl)-3-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]urea
CID 111337389
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119760041
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119758276
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
CID 119805138
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
CID 119316501
3-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122000298
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride (CID 119771425) is 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride is CNCC(C)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
The InChIKey is HKEDWSOCEHVLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.ClH/c1-11(9-20-4)14(22)21-10-15(2,3)12-6-5-7-13(8-12)16(17,18)19;/h5-8,11,20H,9-10H2,1-4H3,(H,21,22);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 3.38, 6 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-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride is sourced from PubChem (CID 119771425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).