2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C18H23F3N2O3 — CID 53245170

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O3/c1-4-23-11-17(2,3)26-16(25)14(23)9-15(24)22-10-12-6-5-7-13(8-12)18(19,20)21/h5-8,14H,4,9-11H2,1-3H3,(H,22,24)
InChIKeyDMDANNXONDIOJM-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 53245170) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID53245170
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O3/c1-4-23-11-17(2,3)26-16(25)14(23)9-15(24)22-10-12-6-5-7-13(8-12)18(19,20)21/h5-8,14H,4,9-11H2,1-3H3,(H,22,24)
InChIKeyDMDANNXONDIOJM-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 53245170) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is DMDANNXONDIOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-4-23-11-17(2,3)26-16(25)14(23)9-15(24)22-10-12-6-5-7-13(8-12)18(19,20)21/h5-8,14H,4,9-11H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 372.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 53245170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).