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

C15H20F3N3O3 — CID 90534932

IUPACN-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O3/c1-21(2)8-7-19-13(23)14(24)20-9-12(22)10-3-5-11(6-4-10)15(16,17)18/h3-6,12,22H,7-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyQSMYEXBYDDYKIT-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.53
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 90534932) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID90534932
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O3/c1-21(2)8-7-19-13(23)14(24)20-9-12(22)10-3-5-11(6-4-10)15(16,17)18/h3-6,12,22H,7-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyQSMYEXBYDDYKIT-UHFFFAOYSA-N
XLogP0.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765504
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
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
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 90581699
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-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 90534932) is N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is CN(C)CCNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is QSMYEXBYDDYKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-21(2)8-7-19-13(23)14(24)20-9-12(22)10-3-5-11(6-4-10)15(16,17)18/h3-6,12,22H,7-9H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 347.34 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 90534932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).