(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride

C15H22ClF3N2O2 — CID 119769269

IUPAC(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-13(2,3)11(19)12(21)20-9-14(22,15(16,17)18)10-7-5-4-6-8-10;/h4-8,11,22H,9,19H2,1-3H3,(H,20,21);1H/t11-,14?;/m1./s1
InChIKeySOKDLCPJRPMHRM-JEVWNTBDSA-N
MW354.80 g/mol
LogP2.35
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride (PubChem CID 119769269) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
PubChem CID119769269
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-13(2,3)11(19)12(21)20-9-14(22,15(16,17)18)10-7-5-4-6-8-10;/h4-8,11,22H,9,19H2,1-3H3,(H,20,21);1H/t11-,14?;/m1./s1
InChIKeySOKDLCPJRPMHRM-JEVWNTBDSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
CID 119769283
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
CID 119769296
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736
(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
CID 119767554
1-(2-methylphenyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]urea
CID 95367469
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride (CID 119769269) is (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride?
The InChIKey is SOKDLCPJRPMHRM-JEVWNTBDSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c1-13(2,3)11(19)12(21)20-9-14(22,15(16,17)18)10-7-5-4-6-8-10;/h4-8,11,22H,9,19H2,1-3H3,(H,20,21);1H/t11-,14?;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119769269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).