N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride

C19H27Cl2N3O3 — CID 119652511

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O3.2ClH/c1-19(2,13-20)14-22(3)18(23)12-24-15-7-9-16(10-8-15)25-17-6-4-5-11-21-17;;/h4-11H,12-14,20H2,1-3H3;2*1H
InChIKeyOHBXYUUBIQJBMD-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.54
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride (PubChem CID 119652511) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
PubChem CID119652511
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O3.2ClH/c1-19(2,13-20)14-22(3)18(23)12-24-15-7-9-16(10-8-15)25-17-6-4-5-11-21-17;;/h4-11H,12-14,20H2,1-3H3;2*1H
InChIKeyOHBXYUUBIQJBMD-UHFFFAOYSA-N
XLogP3.54
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
2-[methyl-[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]acetamide
CID 56809048
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36621925
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86920381
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877751
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide;hydrochloride
CID 119654426
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide
CID 119654427

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride (CID 119652511) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
The InChIKey is OHBXYUUBIQJBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.2ClH/c1-19(2,13-20)14-22(3)18(23)12-24-15-7-9-16(10-8-15)25-17-6-4-5-11-21-17;;/h4-11H,12-14,20H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride is sourced from PubChem (CID 119652511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).