2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H17F3N2O3 — CID 41009155

IUPAC2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCOC(=O)[C@@H]1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c1-2-20-6-7-23-14(22)12(20)9-13(21)19-11-5-3-4-10(8-11)15(16,17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyJTGQAMGKIFAHGJ-LBPRGKRZSA-N
MW330.31 g/mol
LogP2.28
Rot. Bonds4

About 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 41009155) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID41009155
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCOC(=O)[C@@H]1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c1-2-20-6-7-23-14(22)12(20)9-13(21)19-11-5-3-4-10(8-11)15(16,17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyJTGQAMGKIFAHGJ-LBPRGKRZSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-3-oxomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2955032
ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
CID 40566787
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(2-methylphenyl)acetamide
CID 44611957
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110860875
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41475117
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18892030
2-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide dichloride
CID 21177507
1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134096916
dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41090664
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 41009155) is 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JTGQAMGKIFAHGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-2-20-6-7-23-14(22)12(20)9-13(21)19-11-5-3-4-10(8-11)15(16,17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 330.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 41009155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).