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

C18H19F6NO3 — CID 11509804

IUPACN-[(2R,4S)-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-UXIGCNINSA-N
MW411.34 g/mol
LogP4.74
Rot. Bonds5

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

N-[(2R,4S)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 11509804) has the molecular formula C18H19F6NO3 and a molecular weight of 411.34 g/mol. Its IUPAC name is N-[(2R,4S)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
PubChem CID11509804
Molecular FormulaC18H19F6NO3
Molecular Weight411.34 g/mol
Exact Mass411.13
IUPAC NameN-[(2R,4S)-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-UXIGCNINSA-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-[(2R,4S)-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

N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11023403
N-benzyl-N-[(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-enyl]-2,2,2-trifluoroacetamide
CID 134881147
2,2,2-trifluoro-N-[[(2R)-5-iodo-3,4-dihydro-2H-pyran-2-yl]methyl]-N-[(1R)-1-phenylethyl]acetamide
CID 639212
N-[(2S,4S)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11654483
2,2,2-trifluoro-N-[(5-iodo-3,4-dihydro-2H-pyran-2-yl)methyl]-N-(1-phenylethyl)acetamide
CID 22298114
N-((1S)-1-Phenylethyl)-N-(1,4-dioxaspiro[4.5]dec-8-yl)-2,2,2-trifluoroacetamide
CID 86609653
N-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 117721372
N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide
CID 118589381
tert-butyl (2R)-2-benzyl-4-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate;1,1,1-trifluoro-3,3-dimethoxypropane
CID 144642435
(2rs,3sr,4rs)-4-(N-acetyl-N-benzylamino)-2-ethoxy-3,4-di-hydro-3-methyl-2h-pyran-5-carbonitrile
CID 129707134
(2rs,4rs)-4-(N-acetyl-N-benzylamino)-3,4-dihydro-2-i-butoxy-2h-pyran-5-carbonitrile
CID 129707146
(2rs,4sr)-4-(N-acetyl-N-benzylamino)-3,4-dihydro-2-n-butoxy-2h-pyran-5-carbonitrile
CID 129707180

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-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-[(2R,4S)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide (CID 11509804) is N-[(2R,4S)-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-[(2R,4S)-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-[(2R,4S)-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-[(2R,4S)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is GKUZEMOYSWTZNQ-UXIGCNINSA-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-[(2R,4S)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide?
N-[(2R,4S)-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-[(2R,4S)-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 11509804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).