(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide

C13H17F3N2O2 — CID 103930266

IUPAC(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H17F3N2O2/c1-12(2,3)10(17)11(20)18-8-6-7(13(14,15)16)4-5-9(8)19/h4-6,10,19H,17H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyWTDYDEVNGOVAKC-JTQLQIEISA-N
MW290.29 g/mol
LogP2.72
Rot. Bonds2

About (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 103930266) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
PubChem CID103930266
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H17F3N2O2/c1-12(2,3)10(17)11(20)18-8-6-7(13(14,15)16)4-5-9(8)19/h4-6,10,19H,17H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyWTDYDEVNGOVAKC-JTQLQIEISA-N
XLogP2.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
2-amino-N-[2-amino-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 110481478
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
CID 51922854
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide (CID 103930266) is (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is WTDYDEVNGOVAKC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-12(2,3)10(17)11(20)18-8-6-7(13(14,15)16)4-5-9(8)19/h4-6,10,19H,17H2,1-3H3,(H,18,20)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 290.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103930266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).