2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride

C15H22ClF3N2O2 — CID 119769283

IUPAC2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-3-10(2)12(19)13(21)20-9-14(22,15(16,17)18)11-7-5-4-6-8-11;/h4-8,10,12,22H,3,9,19H2,1-2H3,(H,20,21);1H
InChIKeyIFFPTYYVFFUZFF-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.35
Rot. Bonds6

About 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride

2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride (PubChem CID 119769283) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
PubChem CID119769283
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-3-10(2)12(19)13(21)20-9-14(22,15(16,17)18)11-7-5-4-6-8-11;/h4-8,10,12,22H,3,9,19H2,1-2H3,(H,20,21);1H
InChIKeyIFFPTYYVFFUZFF-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
CID 119769269
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
CID 119769296
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
CID 119704272

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride (CID 119769283) is 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride?
The InChIKey is IFFPTYYVFFUZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c1-3-10(2)12(19)13(21)20-9-14(22,15(16,17)18)11-7-5-4-6-8-11;/h4-8,10,12,22H,3,9,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride?
2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride is sourced from PubChem (CID 119769283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).