N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride

C16H27ClN2O2 — CID 119655468

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
SMILESCc1ccc(OCC(=O)N(C)CC(C)(C)CN)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12-6-7-14(13(2)8-12)20-9-15(19)18(5)11-16(3,4)10-17;/h6-8H,9-11,17H2,1-5H3;1H
InChIKeyHMBODTJOEAKVMZ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.55
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride (PubChem CID 119655468) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
PubChem CID119655468
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
SMILESCc1ccc(OCC(=O)N(C)CC(C)(C)CN)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12-6-7-14(13(2)8-12)20-9-15(19)18(5)11-16(3,4)10-17;/h6-8H,9-11,17H2,1-5H3;1H
InChIKeyHMBODTJOEAKVMZ-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119583890
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-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119655726
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide;hydrochloride
CID 119654426

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride (CID 119655468) is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride is Cc1ccc(OCC(=O)N(C)CC(C)(C)CN)c(C)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
The InChIKey is HMBODTJOEAKVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12-6-7-14(13(2)8-12)20-9-15(19)18(5)11-16(3,4)10-17;/h6-8H,9-11,17H2,1-5H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.55, 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-dimethylphenoxy)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119655468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).