N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

C16H24ClF3N2O3 — CID 119740691

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)CC(O)COc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H23F3N2O3.ClH/c1-11(8-20-2)15(23)21(3)9-13(22)10-24-14-6-4-12(5-7-14)16(17,18)19;/h4-7,11,13,20,22H,8-10H2,1-3H3;1H
InChIKeyVKLOOKGJPSCAAN-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.18
Rot. Bonds8

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119740691) has the molecular formula C16H24ClF3N2O3 and a molecular weight of 384.83 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119740691
Molecular FormulaC16H24ClF3N2O3
Molecular Weight384.83 g/mol
Exact Mass384.14
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)CC(O)COc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H23F3N2O3.ClH/c1-11(8-20-2)15(23)21(3)9-13(22)10-24-14-6-4-12(5-7-14)16(17,18)19;/h4-7,11,13,20,22H,8-10H2,1-3H3;1H
InChIKeyVKLOOKGJPSCAAN-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methyl-4-(methylamino)butanamide
CID 119740676
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119298814
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 95787904
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (CID 119740691) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)N(C)CC(O)COc1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is VKLOOKGJPSCAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3.ClH/c1-11(8-20-2)15(23)21(3)9-13(22)10-24-14-6-4-12(5-7-14)16(17,18)19;/h4-7,11,13,20,22H,8-10H2,1-3H3;1H.
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 384.83 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119740691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).