N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide

C23H32F4N2O2 — CID 153338514

IUPACN-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCCNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C23H32F4N2O2/c1-2-28-21(30)22(10-13-31-14-11-22)29-12-9-16-3-5-17(6-4-16)19-8-7-18(24)15-20(19)23(25,26)27/h7-8,15-17,29H,2-6,9-14H2,1H3,(H,28,30)
InChIKeyZTNGNPXEFOPSHZ-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.78
Rot. Bonds7

About N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide

N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 153338514) has the molecular formula C23H32F4N2O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID153338514
Molecular FormulaC23H32F4N2O2
Molecular Weight444.51 g/mol
Exact Mass444.24
IUPAC NameN-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCCNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C23H32F4N2O2/c1-2-28-21(30)22(10-13-31-14-11-22)29-12-9-16-3-5-17(6-4-16)19-8-7-18(24)15-20(19)23(25,26)27/h7-8,15-17,29H,2-6,9-14H2,1H3,(H,28,30)
InChIKeyZTNGNPXEFOPSHZ-UHFFFAOYSA-N
XLogP4.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide (CID 153338514) is N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide is CCNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is ZTNGNPXEFOPSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F4N2O2/c1-2-28-21(30)22(10-13-31-14-11-22)29-12-9-16-3-5-17(6-4-16)19-8-7-18(24)15-20(19)23(25,26)27/h7-8,15-17,29H,2-6,9-14H2,1H3,(H,28,30).
What are the key properties of N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 153338514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).