N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide

C8H11F3N2O2 — CID 60948148

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-3-7(15)13(2)4-6(14)12-5-8(9,10)11/h3H,1,4-5H2,2H3,(H,12,14)
InChIKeyAIBSZIBOAAHOCF-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.31
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide (PubChem CID 60948148) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
PubChem CID60948148
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-3-7(15)13(2)4-6(14)12-5-8(9,10)11/h3H,1,4-5H2,2H3,(H,12,14)
InChIKeyAIBSZIBOAAHOCF-UHFFFAOYSA-N
XLogP0.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Amino-2-oxoethyl)acrylamide
CID 20038864
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 20805367
(E)-N-ethyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide
CID 162375580
2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647098
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 60949181
N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 62492486
N,N-bis(prop-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914688
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914751
N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958305
N-ethyl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958513
N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79277924
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 79277930

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide (CID 60948148) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
The InChIKey is AIBSZIBOAAHOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-3-7(15)13(2)4-6(14)12-5-8(9,10)11/h3H,1,4-5H2,2H3,(H,12,14).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide has a molecular weight of 224.18 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 60948148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).