N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

C15H19F3N2O3 — CID 129144801

IUPACN-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)COCC(F)(F)F)cc2)O1
InChIInChI=1S/C15H19F3N2O3/c1-10-6-19-7-13(23-10)11-2-4-12(5-3-11)20-14(21)8-22-9-15(16,17)18/h2-5,10,13,19H,6-9H2,1H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyYSLXCNXHKNUMED-ZWNOBZJWSA-N
MW332.32 g/mol
LogP2.25
Rot. Bonds5

About N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 129144801) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID129144801
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)COCC(F)(F)F)cc2)O1
InChIInChI=1S/C15H19F3N2O3/c1-10-6-19-7-13(23-10)11-2-4-12(5-3-11)20-14(21)8-22-9-15(16,17)18/h2-5,10,13,19H,6-9H2,1H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyYSLXCNXHKNUMED-ZWNOBZJWSA-N
XLogP2.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-morpholin-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67238348
1-[4-[(2S)-morpholin-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67240432
1-(4-Morpholin-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 53250443
1-(3-Methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
CID 53250592
1-[(4-Methylphenyl)methyl]-3-(4-morpholin-2-ylphenyl)urea
CID 53250594
1-(4-Methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
CID 53250750
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide
CID 67238949
1-Cyclohexyl-3-(4-morpholin-2-ylphenyl)urea
CID 67239602
N-[(4-fluorophenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325418
4-[(2S)-morpholin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 68325533
N-[(4-methylphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325618
N-[(4-ethylphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325659

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 129144801) is N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is C[C@@H]1CNC[C@H](c2ccc(NC(=O)COCC(F)(F)F)cc2)O1.
What is the InChIKey of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YSLXCNXHKNUMED-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10-6-19-7-13(23-10)11-2-4-12(5-3-11)20-14(21)8-22-9-15(16,17)18/h2-5,10,13,19H,6-9H2,1H3,(H,20,21)/t10-,13-/m1/s1.
What are the key properties of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 332.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 129144801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).