N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide

C18H21F6NO4 — CID 11697647

IUPACN-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
SMILESCCO[C@@H]1C[C@H](N(C(=O)C(F)(F)F)[C@H](C)c2ccccc2)[C@@H](O)[C@H](C(F)(F)F)O1
InChIInChI=1S/C18H21F6NO4/c1-3-28-13-9-12(14(26)15(29-13)17(19,20)21)25(16(27)18(22,23)24)10(2)11-7-5-4-6-8-11/h4-8,10,12-15,26H,3,9H2,1-2H3/t10-,12+,13+,14-,15-/m1/s1
InChIKeyYKGIPFMCWCUSJM-BGNCJLHMSA-N
MW429.36 g/mol
LogP3.58
Rot. Bonds5

About N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide

N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 11697647) has the molecular formula C18H21F6NO4 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
PubChem CID11697647
Molecular FormulaC18H21F6NO4
Molecular Weight429.36 g/mol
Exact Mass429.14
IUPAC NameN-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
SMILESCCO[C@@H]1C[C@H](N(C(=O)C(F)(F)F)[C@H](C)c2ccccc2)[C@@H](O)[C@H](C(F)(F)F)O1
InChIInChI=1S/C18H21F6NO4/c1-3-28-13-9-12(14(26)15(29-13)17(19,20)21)25(16(27)18(22,23)24)10(2)11-7-5-4-6-8-11/h4-8,10,12-15,26H,3,9H2,1-2H3/t10-,12+,13+,14-,15-/m1/s1
InChIKeyYKGIPFMCWCUSJM-BGNCJLHMSA-N
XLogP3.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide with MolForge

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Related Compounds

(4R)-1-benzyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162648255
(4R)-1-benzyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrrolidin-2-one
CID 162656015
(4S)-1-benzyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrrolidin-2-one
CID 162667275
(4S)-1-benzyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162670915
(4S)-1-benzyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162675752
(4R)-1-benzyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162677199
2,2,2-trifluoro-N-[[(2S,5E,6S)-5-hydroxyimino-6-methoxyoxan-2-yl]methyl]-N-[(1R)-1-phenylethyl]acetamide
CID 134886075
2,2,2-trifluoro-N-[[(2S,5R,6S)-5-(hydroxyamino)-6-methoxyoxan-2-yl]methyl]-N-[(1R)-1-phenylethyl]acetamide
CID 134886158
N-[[(2S,5R,6S)-5-acetamido-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 134886159
N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)-2,2,2-trifluoro-N-(1-phenylethyl)acetamide
CID 139190435
N-[[(2S,5R,6S)-5-azido-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 9977420
(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
CID 11559036

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (CID 11697647) is N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide is CCO[C@@H]1C[C@H](N(C(=O)C(F)(F)F)[C@H](C)c2ccccc2)[C@@H](O)[C@H](C(F)(F)F)O1.
What is the InChIKey of N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is YKGIPFMCWCUSJM-BGNCJLHMSA-N. The full InChI is InChI=1S/C18H21F6NO4/c1-3-28-13-9-12(14(26)15(29-13)17(19,20)21)25(16(27)18(22,23)24)10(2)11-7-5-4-6-8-11/h4-8,10,12-15,26H,3,9H2,1-2H3/t10-,12+,13+,14-,15-/m1/s1.
What are the key properties of N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 429.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 11697647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).