N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride

C15H23Cl3N2O2 — CID 119655726

IUPACN-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C15H22Cl2N2O2.ClH/c1-15(2,9-18)10-19(3)14(20)6-7-21-13-5-4-11(16)8-12(13)17;/h4-5,8H,6-7,9-10,18H2,1-3H3;1H
InChIKeyIULXQFSMDALAOC-UHFFFAOYSA-N
MW369.72 g/mol
LogP3.63
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride (PubChem CID 119655726) has the molecular formula C15H23Cl3N2O2 and a molecular weight of 369.72 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
PubChem CID119655726
Molecular FormulaC15H23Cl3N2O2
Molecular Weight369.72 g/mol
Exact Mass368.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C15H22Cl2N2O2.ClH/c1-15(2,9-18)10-19(3)14(20)6-7-21-13-5-4-11(16)8-12(13)17;/h4-5,8H,6-7,9-10,18H2,1-3H3;1H
InChIKeyIULXQFSMDALAOC-UHFFFAOYSA-N
XLogP3.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-(2-chlorophenoxy)-N-methylbutanamide
CID 119657041
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
CID 119653129
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide
CID 119652893
N-(3-amino-2,2-dimethylpropyl)-3-(4-chlorophenyl)-N-methylpropanamide;hydrochloride
CID 119653075
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119655500
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride (CID 119655726) is N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride is CN(CC(C)(C)CN)C(=O)CCOc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
The InChIKey is IULXQFSMDALAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2.ClH/c1-15(2,9-18)10-19(3)14(20)6-7-21-13-5-4-11(16)8-12(13)17;/h4-5,8H,6-7,9-10,18H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride has a molecular weight of 369.72 g/mol, XLogP of 3.63, 7 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)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119655726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).