(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C14H19F3N2O2 — CID 129433824

IUPAC(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N(C)CC(F)(F)F)cc(C)c1O
InChIInChI=1S/C14H19F3N2O2/c1-8-5-11(6-9(2)12(8)20)18-13(21)10(3)19(4)7-14(15,16)17/h5-6,10,20H,7H2,1-4H3,(H,18,21)/t10-/m1/s1
InChIKeyTUTUMZPOZRNBDN-SNVBAGLBSA-N
MW304.31 g/mol
LogP2.83
Rot. Bonds4

About (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 129433824) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID129433824
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N(C)CC(F)(F)F)cc(C)c1O
InChIInChI=1S/C14H19F3N2O2/c1-8-5-11(6-9(2)12(8)20)18-13(21)10(3)19(4)7-14(15,16)17/h5-6,10,20H,7H2,1-4H3,(H,18,21)/t10-/m1/s1
InChIKeyTUTUMZPOZRNBDN-SNVBAGLBSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 129433824) is (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is Cc1cc(NC(=O)[C@@H](C)N(C)CC(F)(F)F)cc(C)c1O.
What is the InChIKey of (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is TUTUMZPOZRNBDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-8-5-11(6-9(2)12(8)20)18-13(21)10(3)19(4)7-14(15,16)17/h5-6,10,20H,7H2,1-4H3,(H,18,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 129433824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).