N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide

C11H15F3N2O3 — CID 166411498

IUPACN-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCOC(C(F)(F)F)C1C
InChIInChI=1S/C11H15F3N2O3/c1-3-8(17)15-6-9(18)16-4-5-19-10(7(16)2)11(12,13)14/h3,7,10H,1,4-6H2,2H3,(H,15,17)
InChIKeyGGCNJGBRQCOXRA-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.47
Rot. Bonds3

About N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide

N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 166411498) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide
PubChem CID166411498
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC NameN-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCOC(C(F)(F)F)C1C
InChIInChI=1S/C11H15F3N2O3/c1-3-8(17)15-6-9(18)16-4-5-19-10(7(16)2)11(12,13)14/h3,7,10H,1,4-6H2,2H3,(H,15,17)
InChIKeyGGCNJGBRQCOXRA-UHFFFAOYSA-N
XLogP0.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide (CID 166411498) is N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)N1CCOC(C(F)(F)F)C1C.
What is the InChIKey of N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is GGCNJGBRQCOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-3-8(17)15-6-9(18)16-4-5-19-10(7(16)2)11(12,13)14/h3,7,10H,1,4-6H2,2H3,(H,15,17).
What are the key properties of N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide?
N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 280.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 166411498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).