N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

C17H26ClF3N2O3 — CID 119658198

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccccc1OCC(F)(F)F.Cl
InChIInChI=1S/C17H25F3N2O3.ClH/c1-12(2)13(21)8-9-22(3)16(23)10-24-14-6-4-5-7-15(14)25-11-17(18,19)20;/h4-7,12-13H,8-11,21H2,1-3H3;1H
InChIKeyDJCUHAZXBCYSLG-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.26
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (PubChem CID 119658198) has the molecular formula C17H26ClF3N2O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
PubChem CID119658198
Molecular FormulaC17H26ClF3N2O3
Molecular Weight398.85 g/mol
Exact Mass398.16
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccccc1OCC(F)(F)F.Cl
InChIInChI=1S/C17H25F3N2O3.ClH/c1-12(2)13(21)8-9-22(3)16(23)10-24-14-6-4-5-7-15(14)25-11-17(18,19)20;/h4-7,12-13H,8-11,21H2,1-3H3;1H
InChIKeyDJCUHAZXBCYSLG-UHFFFAOYSA-N
XLogP3.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807711
N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119660284
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 119657814
N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
CID 119658162
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
CID 119657984
N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 119658373
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 43291238
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (CID 119658198) is N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)COc1ccccc1OCC(F)(F)F.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The InChIKey is DJCUHAZXBCYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3.ClH/c1-12(2)13(21)8-9-22(3)16(23)10-24-14-6-4-5-7-15(14)25-11-17(18,19)20;/h4-7,12-13H,8-11,21H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride has a molecular weight of 398.85 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119658198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).