N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C13H17F3N2O2 — CID 78914965

IUPACN-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CCOc1ccccc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-18(12(19)9-17-10-13(14,15)16)7-8-20-11-5-3-2-4-6-11/h2-6,17H,7-10H2,1H3
InChIKeyLGJZRHREFCUXSY-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.68
Rot. Bonds7

About N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914965) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914965
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CCOc1ccccc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-18(12(19)9-17-10-13(14,15)16)7-8-20-11-5-3-2-4-6-11/h2-6,17H,7-10H2,1H3
InChIKeyLGJZRHREFCUXSY-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060237
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722313
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287117

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914965) is N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(CCOc1ccccc1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LGJZRHREFCUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-18(12(19)9-17-10-13(14,15)16)7-8-20-11-5-3-2-4-6-11/h2-6,17H,7-10H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).