N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide

C15H19F3N2O3 — CID 90534872

IUPACN'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3/c1-9(2)7-19-13(22)14(23)20-8-12(21)10-3-5-11(6-4-10)15(16,17)18/h3-6,9,12,21H,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYQYIEQOOZVMOCX-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.63
Rot. Bonds5

About N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide

N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide (PubChem CID 90534872) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
PubChem CID90534872
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3/c1-9(2)7-19-13(22)14(23)20-8-12(21)10-3-5-11(6-4-10)15(16,17)18/h3-6,9,12,21H,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYQYIEQOOZVMOCX-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534932
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 95368322
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765504

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide (CID 90534872) is N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide?
The InChIKey is YQYIEQOOZVMOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-9(2)7-19-13(22)14(23)20-8-12(21)10-3-5-11(6-4-10)15(16,17)18/h3-6,9,12,21H,7-8H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide?
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide has a molecular weight of 332.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 90534872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).