(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide

C16H20F3NO4 — CID 125141478

IUPAC(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1OCC(F)(F)F
InChIInChI=1S/C16H20F3NO4/c1-9-6-10(2)24-14(9)15(21)20-11-4-5-12(22-3)13(7-11)23-8-16(17,18)19/h4-5,7,9-10,14H,6,8H2,1-3H3,(H,20,21)/t9-,10-,14+/m0/s1
InChIKeyZKOHTJFRRCEQPP-PKFCDNJMSA-N
MW347.33 g/mol
LogP3.39
Rot. Bonds5

About (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide

(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide (PubChem CID 125141478) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
PubChem CID125141478
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1OCC(F)(F)F
InChIInChI=1S/C16H20F3NO4/c1-9-6-10(2)24-14(9)15(21)20-11-4-5-12(22-3)13(7-11)23-8-16(17,18)19/h4-5,7,9-10,14H,6,8H2,1-3H3,(H,20,21)/t9-,10-,14+/m0/s1
InChIKeyZKOHTJFRRCEQPP-PKFCDNJMSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide with MolForge

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Related Compounds

(2R,3S,5R)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
CID 125141476
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119286140
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-(5-methylhexan-2-yl)urea
CID 112825815
(2S)-2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119717616
4-[[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075598
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide
CID 119949715
2-cyclohexyl-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-1-carboxamide
CID 112838363
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide (CID 125141478) is (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide is COc1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1OCC(F)(F)F.
What is the InChIKey of (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide?
The InChIKey is ZKOHTJFRRCEQPP-PKFCDNJMSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-9-6-10(2)24-14(9)15(21)20-11-4-5-12(22-3)13(7-11)23-8-16(17,18)19/h4-5,7,9-10,14H,6,8H2,1-3H3,(H,20,21)/t9-,10-,14+/m0/s1.
What are the key properties of (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide?
(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 125141478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).