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

C15H19F3N2O3 — CID 48894809

IUPACN-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3/c1-3-14(23,4-2)9-19-12(21)13(22)20-11-7-5-10(6-8-11)15(16,17)18/h5-8,23H,3-4,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWDFMAHNYHBUSMM-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.31
Rot. Bonds5

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

N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 48894809) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID48894809
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3/c1-3-14(23,4-2)9-19-12(21)13(22)20-11-7-5-10(6-8-11)15(16,17)18/h5-8,23H,3-4,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWDFMAHNYHBUSMM-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
N-(2-ethyl-2-hydroxybutyl)-N'-(4-phenylphenyl)oxamide
CID 48894767
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 48894809) is N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is CCC(O)(CC)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is WDFMAHNYHBUSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-3-14(23,4-2)9-19-12(21)13(22)20-11-7-5-10(6-8-11)15(16,17)18/h5-8,23H,3-4,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 332.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 48894809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).