N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide

C11H15F3N2O2 — CID 166406794

IUPACN-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC1(CC(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c1-3-9(18)16(2)6-8(17)15-10(4-5-10)7-11(12,13)14/h3H,1,4-7H2,2H3,(H,15,17)
InChIKeyNCPBGXBQAIQLIU-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.23
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide (PubChem CID 166406794) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide
PubChem CID166406794
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC1(CC(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c1-3-9(18)16(2)6-8(17)15-10(4-5-10)7-11(12,13)14/h3H,1,4-7H2,2H3,(H,15,17)
InChIKeyNCPBGXBQAIQLIU-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.23
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

2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 102248465
N-{[(1-cyclopropyl-2,2,2-trifluoroethyl)carbamoyl]methyl}-N-ethylprop-2-enamide
CID 145906369
N-methyl-N-[2-oxo-2-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]ethyl]prop-2-enamide
CID 145907981
rac-N-methyl-N-({[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl}methyl)prop-2-enamide
CID 145908387
N-methyl-N-[2-oxo-2-(1,1,1-trifluorobutan-2-ylamino)ethyl]prop-2-enamide
CID 154793372
N-methyl-N-[2-[3-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166407460

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide (CID 166406794) is N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)NC1(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide?
The InChIKey is NCPBGXBQAIQLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-3-9(18)16(2)6-8(17)15-10(4-5-10)7-11(12,13)14/h3H,1,4-7H2,2H3,(H,15,17).
What are the key properties of N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide has a molecular weight of 264.25 g/mol, XLogP of 1.23, 5 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-[[1-(2,2,2-trifluoroethyl)cyclopropyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 166406794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).