N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

C14H20ClF3N2O3 — CID 120830158

IUPACN-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1ccccc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-10(18-2)7-19-13(20)8-21-11-5-3-4-6-12(11)22-9-14(15,16)17;/h3-6,10,18H,7-9H2,1-2H3,(H,19,20);1H
InChIKeyAJXBZOZGPXRADX-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.15
Rot. Bonds8

About N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (PubChem CID 120830158) has the molecular formula C14H20ClF3N2O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
PubChem CID120830158
Molecular FormulaC14H20ClF3N2O3
Molecular Weight356.77 g/mol
Exact Mass356.11
IUPAC NameN-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1ccccc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-10(18-2)7-19-13(20)8-21-11-5-3-4-6-12(11)22-9-14(15,16)17;/h3-6,10,18H,7-9H2,1-2H3,(H,19,20);1H
InChIKeyAJXBZOZGPXRADX-UHFFFAOYSA-N
XLogP2.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119382771
2-(2,6-dichlorophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120833103
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 97080119
2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (CID 120830158) is N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is CNC(C)CNC(=O)COc1ccccc1OCC(F)(F)F.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The InChIKey is AJXBZOZGPXRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3.ClH/c1-10(18-2)7-19-13(20)8-21-11-5-3-4-6-12(11)22-9-14(15,16)17;/h3-6,10,18H,7-9H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride has a molecular weight of 356.77 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 120830158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).