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

C18H19F6NO3 — CID 11546049

IUPACN-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-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=C(C(F)(F)F)O1
InChIInChI=1S/C18H19F6NO3/c1-3-27-15-10-13(9-14(28-15)17(19,20)21)25(16(26)18(22,23)24)11(2)12-7-5-4-6-8-12/h4-9,11,13,15H,3,10H2,1-2H3/t11-,13+,15+/m1/s1
InChIKeyGKUZEMOYSWTZNQ-ZLDLUXBVSA-N
MW411.34 g/mol
LogP4.74
Rot. Bonds5

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

N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 11546049) has the molecular formula C18H19F6NO3 and a molecular weight of 411.34 g/mol. Its IUPAC name is N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
PubChem CID11546049
Molecular FormulaC18H19F6NO3
Molecular Weight411.34 g/mol
Exact Mass411.13
IUPAC NameN-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-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=C(C(F)(F)F)O1
InChIInChI=1S/C18H19F6NO3/c1-3-27-15-10-13(9-14(28-15)17(19,20)21)25(16(26)18(22,23)24)11(2)12-7-5-4-6-8-12/h4-9,11,13,15H,3,10H2,1-2H3/t11-,13+,15+/m1/s1
InChIKeyGKUZEMOYSWTZNQ-ZLDLUXBVSA-N
XLogP4.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R,4R)-2-ethoxy-4-[(1R)-1-phenylethoxy]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 11099115
4-(2,4-dimethylphenyl)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 102163966
N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide
CID 91753864
1-[(2S,4S)-4-ethoxy-2-phenoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 102437142
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 10588393
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate
CID 56647662
N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140
N-(1-benzhydrylazetidin-3-yl)-2,2,2-trifluoro-N-propan-2-ylacetamide;1-benzhydryl-N-propan-2-ylazetidin-3-amine;tert-butyl 3-(propan-2-ylamino)azetidine-1-carboxylate;tert-butyl 3-[propan-2-yl-(2,2,2-trifluoroacetyl)amino]azetidine-1-carboxylate
CID 158361139
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112820407

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (CID 11546049) is N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-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=C(C(F)(F)F)O1.
What is the InChIKey of N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is GKUZEMOYSWTZNQ-ZLDLUXBVSA-N. The full InChI is InChI=1S/C18H19F6NO3/c1-3-27-15-10-13(9-14(28-15)17(19,20)21)25(16(26)18(22,23)24)11(2)12-7-5-4-6-8-12/h4-9,11,13,15H,3,10H2,1-2H3/t11-,13+,15+/m1/s1.
What are the key properties of N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 411.34 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 11546049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).