N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide

C18H23F3N2O3 — CID 51118166

IUPACN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)16-11-15(23-5-9-26-10-6-23)2-1-14(16)12-22-17(24)13-3-7-25-8-4-13/h1-2,11,13H,3-10,12H2,(H,22,24)
InChIKeyDAQRJFNNHFPHDJ-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.58
Rot. Bonds4

About N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide

N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide (PubChem CID 51118166) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
PubChem CID51118166
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)16-11-15(23-5-9-26-10-6-23)2-1-14(16)12-22-17(24)13-3-7-25-8-4-13/h1-2,11,13H,3-10,12H2,(H,22,24)
InChIKeyDAQRJFNNHFPHDJ-UHFFFAOYSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
CID 167973431
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide
CID 55803571
2-methyl-1-(2-methylpropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111180323
2-methyl-1-(2-methylcyclopropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111961550
N',3,3-trimethyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111737974
2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55803637
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 67195679
3-bromo-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55969265
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 138994426
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
2-methyl-1-[(4-methylphenyl)methyl]-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111244274
2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 133297396

Frequently Asked Questions

What is the IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide (CID 51118166) is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCOCC1.
What is the InChIKey of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
The InChIKey is DAQRJFNNHFPHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c19-18(20,21)16-11-15(23-5-9-26-10-6-23)2-1-14(16)12-22-17(24)13-3-7-25-8-4-13/h1-2,11,13H,3-10,12H2,(H,22,24).
What are the key properties of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 51118166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).