(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide

C16H20F3NO3 — CID 42563008

IUPAC(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C16H20F3NO3/c1-10(14-7-4-8-22-14)20-15(21)11(2)23-13-6-3-5-12(9-13)16(17,18)19/h3,5-6,9-11,14H,4,7-8H2,1-2H3,(H,20,21)/t10-,11-,14-/m0/s1
InChIKeyBPEPOAAAUJGAJU-MJVIPROJSA-N
MW331.33 g/mol
LogP3.16
Rot. Bonds5

About (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide

(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide (PubChem CID 42563008) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
PubChem CID42563008
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C16H20F3NO3/c1-10(14-7-4-8-22-14)20-15(21)11(2)23-13-6-3-5-12(9-13)16(17,18)19/h3,5-6,9-11,14H,4,7-8H2,1-2H3,(H,20,21)/t10-,11-,14-/m0/s1
InChIKeyBPEPOAAAUJGAJU-MJVIPROJSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27232484
2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 6469922
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 35257790
(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 40636207
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide (CID 42563008) is (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide is C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is BPEPOAAAUJGAJU-MJVIPROJSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-10(14-7-4-8-22-14)20-15(21)11(2)23-13-6-3-5-12(9-13)16(17,18)19/h3,5-6,9-11,14H,4,7-8H2,1-2H3,(H,20,21)/t10-,11-,14-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 331.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 42563008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).