4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide

C20H19F3N2O4 — CID 56766019

IUPAC4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-17-9-5-4-8-15(17)10-24-19(27)16-12-28-13-18(26)25(16)11-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,24,27)
InChIKeyKQZKZFCAWGACTD-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.63
Rot. Bonds6

About 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide

4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 56766019) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
PubChem CID56766019
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Name4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-17-9-5-4-8-15(17)10-24-19(27)16-12-28-13-18(26)25(16)11-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,24,27)
InChIKeyKQZKZFCAWGACTD-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 97074669
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 66645103
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 95368623
(4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide
CID 99792429

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide (CID 56766019) is 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is KQZKZFCAWGACTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c21-20(22,23)29-17-9-5-4-8-15(17)10-24-19(27)16-12-28-13-18(26)25(16)11-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,24,27).
What are the key properties of 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide?
4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 56766019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).