2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide

C22H30F3NO6 — CID 149247890

IUPAC2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
SMILESCC1(C)OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NCc2cccc(OC(F)(F)F)c2)O1
InChIInChI=1S/C22H30F3NO6/c1-20(2)13-30-21(3,4)32-18(20)16(27)9-6-10-17(28)19(29)26-12-14-7-5-8-15(11-14)31-22(23,24)25/h5,7-8,11,17-18,28H,6,9-10,12-13H2,1-4H3,(H,26,29)/t17?,18-/m0/s1
InChIKeyXNLSNIXFEFDEBB-ZVAWYAOSSA-N
MW461.48 g/mol
LogP3.48
Rot. Bonds9

About 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide

2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide (PubChem CID 149247890) has the molecular formula C22H30F3NO6 and a molecular weight of 461.48 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide.

Molecular Properties

Compound Name2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
PubChem CID149247890
Molecular FormulaC22H30F3NO6
Molecular Weight461.48 g/mol
Exact Mass461.20
IUPAC Name2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
SMILESCC1(C)OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NCc2cccc(OC(F)(F)F)c2)O1
InChIInChI=1S/C22H30F3NO6/c1-20(2)13-30-21(3,4)32-18(20)16(27)9-6-10-17(28)19(29)26-12-14-7-5-8-15(11-14)31-22(23,24)25/h5,7-8,11,17-18,28H,6,9-10,12-13H2,1-4H3,(H,26,29)/t17?,18-/m0/s1
InChIKeyXNLSNIXFEFDEBB-ZVAWYAOSSA-N
XLogP3.48
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
The IUPAC name of 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide (CID 149247890) is 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide.
What is the SMILES notation for 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
The canonical SMILES for 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide is CC1(C)OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NCc2cccc(OC(F)(F)F)c2)O1.
What is the InChIKey of 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
The InChIKey is XNLSNIXFEFDEBB-ZVAWYAOSSA-N. The full InChI is InChI=1S/C22H30F3NO6/c1-20(2)13-30-21(3,4)32-18(20)16(27)9-6-10-17(28)19(29)26-12-14-7-5-8-15(11-14)31-22(23,24)25/h5,7-8,11,17-18,28H,6,9-10,12-13H2,1-4H3,(H,26,29)/t17?,18-/m0/s1.
What are the key properties of 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide has a molecular weight of 461.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide is sourced from PubChem (CID 149247890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).