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

C15H22Cl2N2O2 — CID 119653129

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H22Cl2N2O2/c1-10(14(20)19(4)9-15(2,3)8-18)21-13-6-5-11(16)7-12(13)17/h5-7,10H,8-9,18H2,1-4H3
InChIKeyGTINIZCOVZSXSJ-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.20
Rot. Bonds6

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

N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide (PubChem CID 119653129) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
PubChem CID119653129
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H22Cl2N2O2/c1-10(14(20)19(4)9-15(2,3)8-18)21-13-6-5-11(16)7-12(13)17/h5-7,10H,8-9,18H2,1-4H3
InChIKeyGTINIZCOVZSXSJ-UHFFFAOYSA-N
XLogP3.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 119656231
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119655726
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
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
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide (CID 119653129) is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide?
The InChIKey is GTINIZCOVZSXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-10(14(20)19(4)9-15(2,3)8-18)21-13-6-5-11(16)7-12(13)17/h5-7,10H,8-9,18H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide?
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide has a molecular weight of 333.26 g/mol, XLogP of 3.20, 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-(2,4-dichlorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 119653129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).