3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide

C20H23F3N2O3 — CID 119950359

IUPAC3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(O)COc1ccccc1C(F)(F)F)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H23F3N2O3/c1-25(19(27)11-17(24)14-7-3-2-4-8-14)12-15(26)13-28-18-10-6-5-9-16(18)20(21,22)23/h2-10,15,17,26H,11-13,24H2,1H3
InChIKeyHQPPYTFXAZEFAG-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.99
Rot. Bonds8

About 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide

3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide (PubChem CID 119950359) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
PubChem CID119950359
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(O)COc1ccccc1C(F)(F)F)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H23F3N2O3/c1-25(19(27)11-17(24)14-7-3-2-4-8-14)12-15(26)13-28-18-10-6-5-9-16(18)20(21,22)23/h2-10,15,17,26H,11-13,24H2,1H3
InChIKeyHQPPYTFXAZEFAG-UHFFFAOYSA-N
XLogP2.99
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119741458
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037
2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119741467
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-cyclohexyl-1-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 52502216
(2R,4R)-4-hydroxy-N-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methylpyrrolidine-2-carboxamide
CID 124686874
N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119299219
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 124686705
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide (CID 119950359) is 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide is CN(CC(O)COc1ccccc1C(F)(F)F)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide?
The InChIKey is HQPPYTFXAZEFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-25(19(27)11-17(24)14-7-3-2-4-8-14)12-15(26)13-28-18-10-6-5-9-16(18)20(21,22)23/h2-10,15,17,26H,11-13,24H2,1H3.
What are the key properties of 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide?
3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide has a molecular weight of 396.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 119950359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).