(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide

C15H24F3NO3 — CID 124884665

IUPAC(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C15H24F3NO3/c1-11(22-10-12-6-5-9-21-12)13(20)19-14(15(16,17)18)7-3-2-4-8-14/h11-12H,2-10H2,1H3,(H,19,20)/t11-,12+/m0/s1
InChIKeyLPIMSXBLZPSGHJ-NWDGAFQWSA-N
MW323.36 g/mol
LogP2.95
Rot. Bonds5

About (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide

(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 124884665) has the molecular formula C15H24F3NO3 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID124884665
Molecular FormulaC15H24F3NO3
Molecular Weight323.36 g/mol
Exact Mass323.17
IUPAC Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C15H24F3NO3/c1-11(22-10-12-6-5-9-21-12)13(20)19-14(15(16,17)18)7-3-2-4-8-14/h11-12H,2-10H2,1H3,(H,19,20)/t11-,12+/m0/s1
InChIKeyLPIMSXBLZPSGHJ-NWDGAFQWSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119574453
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 95977169
N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
CID 119996178
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-ylmethoxy)propanamide;hydrochloride
CID 119525083
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide (CID 124884665) is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide is C[C@H](OC[C@H]1CCCO1)C(=O)NC1(C(F)(F)F)CCCCC1.
What is the InChIKey of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is LPIMSXBLZPSGHJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24F3NO3/c1-11(22-10-12-6-5-9-21-12)13(20)19-14(15(16,17)18)7-3-2-4-8-14/h11-12H,2-10H2,1H3,(H,19,20)/t11-,12+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide?
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[1-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.95, 5 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-[1-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 124884665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).