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

C22H30F4N2O2 — CID 153338629

IUPAC4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C22H30F4N2O2/c1-27-20(29)21(9-12-30-13-10-21)28-11-8-15-2-4-16(5-3-15)18-7-6-17(23)14-19(18)22(24,25)26/h6-7,14-16,28H,2-5,8-13H2,1H3,(H,27,29)
InChIKeyBEYMYJIZPYZATG-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.39
Rot. Bonds6

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

4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide (PubChem CID 153338629) has the molecular formula C22H30F4N2O2 and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
PubChem CID153338629
Molecular FormulaC22H30F4N2O2
Molecular Weight430.49 g/mol
Exact Mass430.22
IUPAC Name4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C22H30F4N2O2/c1-27-20(29)21(9-12-30-13-10-21)28-11-8-15-2-4-16(5-3-15)18-7-6-17(23)14-19(18)22(24,25)26/h6-7,14-16,28H,2-5,8-13H2,1H3,(H,27,29)
InChIKeyBEYMYJIZPYZATG-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide (CID 153338629) is 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide is CNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
The InChIKey is BEYMYJIZPYZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F4N2O2/c1-27-20(29)21(9-12-30-13-10-21)28-11-8-15-2-4-16(5-3-15)18-7-6-17(23)14-19(18)22(24,25)26/h6-7,14-16,28H,2-5,8-13H2,1H3,(H,27,29).
What are the key properties of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 153338629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).