(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide

C16H20F3NO3 — CID 100842096

IUPAC(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO3/c1-11(23-10-13-8-5-9-22-13)15(21)20-14(16(17,18)19)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3,(H,20,21)/t11-,13+,14-/m0/s1
InChIKeyVROSTRKKASVYBU-YUTCNCBUSA-N
MW331.33 g/mol
LogP2.99
Rot. Bonds6

About (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide

(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide (PubChem CID 100842096) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
PubChem CID100842096
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO3/c1-11(23-10-13-8-5-9-22-13)15(21)20-14(16(17,18)19)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3,(H,20,21)/t11-,13+,14-/m0/s1
InChIKeyVROSTRKKASVYBU-YUTCNCBUSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide with MolForge

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Related Compounds

3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 98762105
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2R)-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95154419
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
CID 124615556

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide (CID 100842096) is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide is C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide?
The InChIKey is VROSTRKKASVYBU-YUTCNCBUSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-11(23-10-13-8-5-9-22-13)15(21)20-14(16(17,18)19)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3,(H,20,21)/t11-,13+,14-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide?
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide has a molecular weight of 331.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide is sourced from PubChem (CID 100842096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).