3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide

C16H23F3N2O2 — CID 111635202

IUPAC3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(C)(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-11(14(22)20-3)9-21(4)10-15(2,23)12-6-5-7-13(8-12)16(17,18)19/h5-8,11,23H,9-10H2,1-4H3,(H,20,22)
InChIKeyKHUQUOPNSAELBO-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.23
Rot. Bonds6

About 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 111635202) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID111635202
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(C)(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-11(14(22)20-3)9-21(4)10-15(2,23)12-6-5-7-13(8-12)16(17,18)19/h5-8,11,23H,9-10H2,1-4H3,(H,20,22)
InChIKeyKHUQUOPNSAELBO-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]-N,2-dimethylpropanamide
CID 75482314
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
CID 111121610
2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119228005
3-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 123596150
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide
CID 94399881
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111543235
N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 106918708
3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912610
(2R)-N-(methylcarbamoyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 94469192
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide (CID 111635202) is 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)CC(C)(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is KHUQUOPNSAELBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(14(22)20-3)9-21(4)10-15(2,23)12-6-5-7-13(8-12)16(17,18)19/h5-8,11,23H,9-10H2,1-4H3,(H,20,22).
What are the key properties of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 332.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 111635202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).