4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

C20H27F3N2O2 — CID 152538936

IUPAC4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3c(F)cc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C20H27F3N2O2/c21-15-11-16(22)18(17(23)12-15)14-3-1-13(2-4-14)5-8-25-20(19(24)26)6-9-27-10-7-20/h11-14,25H,1-10H2,(H2,24,26)
InChIKeyYLCXWHRDKNKGQD-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.39
Rot. Bonds6

About 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 152538936) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID152538936
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3c(F)cc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C20H27F3N2O2/c21-15-11-16(22)18(17(23)12-15)14-3-1-13(2-4-14)5-8-25-20(19(24)26)6-9-27-10-7-20/h11-14,25H,1-10H2,(H2,24,26)
InChIKeyYLCXWHRDKNKGQD-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 152538936) is 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is NC(=O)C1(NCCC2CCC(c3c(F)cc(F)cc3F)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is YLCXWHRDKNKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c21-15-11-16(22)18(17(23)12-15)14-3-1-13(2-4-14)5-8-25-20(19(24)26)6-9-27-10-7-20/h11-14,25H,1-10H2,(H2,24,26).
What are the key properties of 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,4,6-trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 152538936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).