2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride

C16H24ClF3N2O3 — CID 119751688

IUPAC2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(O)COc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H23F3N2O3.ClH/c1-3-7-15(2,20)14(23)21-9-12(22)10-24-13-6-4-5-11(8-13)16(17,18)19;/h4-6,8,12,22H,3,7,9-10,20H2,1-2H3,(H,21,23);1H
InChIKeyJUTAUBJGQQNPCG-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.50
Rot. Bonds8

About 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride

2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride (PubChem CID 119751688) has the molecular formula C16H24ClF3N2O3 and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
PubChem CID119751688
Molecular FormulaC16H24ClF3N2O3
Molecular Weight384.83 g/mol
Exact Mass384.14
IUPAC Name2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(O)COc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H23F3N2O3.ClH/c1-3-7-15(2,20)14(23)21-9-12(22)10-24-13-6-4-5-11(8-13)16(17,18)19;/h4-6,8,12,22H,3,7,9-10,20H2,1-2H3,(H,21,23);1H
InChIKeyJUTAUBJGQQNPCG-UHFFFAOYSA-N
XLogP2.50
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
CID 119751829
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 99801130
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563811
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride (CID 119751688) is 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCC(O)COc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride?
The InChIKey is JUTAUBJGQQNPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3.ClH/c1-3-7-15(2,20)14(23)21-9-12(22)10-24-13-6-4-5-11(8-13)16(17,18)19;/h4-6,8,12,22H,3,7,9-10,20H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride has a molecular weight of 384.83 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119751688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).