N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide

C17H21F3N2O3 — CID 56764358

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC(O)C1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)12-6-8-13(9-7-12)22-16(25)15(24)21-10-14(23)11-4-2-1-3-5-11/h6-9,11,14,23H,1-5,10H2,(H,21,24)(H,22,25)
InChIKeyNYRYGGPEURWXPH-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.70
Rot. Bonds4

About N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide

N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 56764358) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID56764358
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC(O)C1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)12-6-8-13(9-7-12)22-16(25)15(24)21-10-14(23)11-4-2-1-3-5-11/h6-9,11,14,23H,1-5,10H2,(H,21,24)(H,22,25)
InChIKeyNYRYGGPEURWXPH-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 56764358) is N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NCC(O)C1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is NYRYGGPEURWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c18-17(19,20)12-6-8-13(9-7-12)22-16(25)15(24)21-10-14(23)11-4-2-1-3-5-11/h6-9,11,14,23H,1-5,10H2,(H,21,24)(H,22,25).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 358.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 56764358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).