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

C15H23Cl3N2O2 — CID 119656929

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H22Cl2N2O2.ClH/c1-10(14(20)19(4)9-15(2,3)8-18)21-12-7-5-6-11(16)13(12)17;/h5-7,10H,8-9,18H2,1-4H3;1H
InChIKeyHORIQCVWXKSPDD-UHFFFAOYSA-N
MW369.72 g/mol
LogP3.63
Rot. Bonds6

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

N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride (PubChem CID 119656929) has the molecular formula C15H23Cl3N2O2 and a molecular weight of 369.72 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
PubChem CID119656929
Molecular FormulaC15H23Cl3N2O2
Molecular Weight369.72 g/mol
Exact Mass368.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H22Cl2N2O2.ClH/c1-10(14(20)19(4)9-15(2,3)8-18)21-12-7-5-6-11(16)13(12)17;/h5-7,10H,8-9,18H2,1-4H3;1H
InChIKeyHORIQCVWXKSPDD-UHFFFAOYSA-N
XLogP3.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
CID 119653129
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 119656231
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119654882
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 119653171
2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200838
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 119037053
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
CID 119655363

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride (CID 119656929) is N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride is CC(Oc1cccc(Cl)c1Cl)C(=O)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
The InChIKey is HORIQCVWXKSPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2.ClH/c1-10(14(20)19(4)9-15(2,3)8-18)21-12-7-5-6-11(16)13(12)17;/h5-7,10H,8-9,18H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride has a molecular weight of 369.72 g/mol, XLogP of 3.63, 6 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)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119656929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).