N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride

C21H29ClN2O2 — CID 119655500

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCOc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-21(2,15-22)16-23(3)20(24)13-14-25-19-12-8-7-11-18(19)17-9-5-4-6-10-17;/h4-12H,13-16,22H2,1-3H3;1H
InChIKeyOVSJTFWHDWQOIN-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.99
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride (PubChem CID 119655500) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride
PubChem CID119655500
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCOc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-21(2,15-22)16-23(3)20(24)13-14-25-19-12-8-7-11-18(19)17-9-5-4-6-10-17;/h4-12H,13-16,22H2,1-3H3;1H
InChIKeyOVSJTFWHDWQOIN-UHFFFAOYSA-N
XLogP3.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(3-amino-2,2-dimethylpropyl)-4-(2-chlorophenoxy)-N-methylbutanamide
CID 119657041
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119655726
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
CID 119655363
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide;hydrochloride
CID 119654426
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride (CID 119655500) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride is CN(CC(C)(C)CN)C(=O)CCOc1ccccc1-c1ccccc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride?
The InChIKey is OVSJTFWHDWQOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-21(2,15-22)16-23(3)20(24)13-14-25-19-12-8-7-11-18(19)17-9-5-4-6-10-17;/h4-12H,13-16,22H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119655500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).