N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide

C13H17F3N2O2 — CID 103643810

IUPACN-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
SMILESCC(C)NC(=O)CNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(2)18-12(19)8-17-7-10-4-3-5-11(6-10)20-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyKEEJSDDCLWMXMR-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.20
Rot. Bonds6

About N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide

N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide (PubChem CID 103643810) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
PubChem CID103643810
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
SMILESCC(C)NC(=O)CNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(2)18-12(19)8-17-7-10-4-3-5-11(6-10)20-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyKEEJSDDCLWMXMR-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
4,4,4-trifluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]butan-2-amine
CID 104854651
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
N-[[3-(trifluoromethoxy)phenyl]methyl]but-2-yn-1-amine
CID 103868570
2-methyl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 107104503
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide (CID 103643810) is N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide is CC(C)NC(=O)CNCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide?
The InChIKey is KEEJSDDCLWMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(2)18-12(19)8-17-7-10-4-3-5-11(6-10)20-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide?
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide has a molecular weight of 290.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide is sourced from PubChem (CID 103643810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).