N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide

C13H17F3N2O2 — CID 119585098

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(CN)N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(8-17)18(2)12(19)7-10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9H,7-8,17H2,1-2H3
InChIKeyZVXWIIYYTUVLFL-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.93
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 119585098) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID119585098
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(CN)N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(8-17)18(2)12(19)7-10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9H,7-8,17H2,1-2H3
InChIKeyZVXWIIYYTUVLFL-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 119582143
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111596763
4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511907
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
3-ethyl-3-hydroxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 103446982
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 119585098) is N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(CN)N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is ZVXWIIYYTUVLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(8-17)18(2)12(19)7-10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9H,7-8,17H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 119585098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).