N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride

C16H27ClN2O3 — CID 119655363

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
SMILESCOc1cccc(OC)c1CC(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-16(2,10-17)11-18(3)15(19)9-12-13(20-4)7-6-8-14(12)21-5;/h6-8H,9-11,17H2,1-5H3;1H
InChIKeyAOJHHYVHDDPGQZ-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.11
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride (PubChem CID 119655363) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
PubChem CID119655363
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
SMILESCOc1cccc(OC)c1CC(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-16(2,10-17)11-18(3)15(19)9-12-13(20-4)7-6-8-14(12)21-5;/h6-8H,9-11,17H2,1-5H3;1H
InChIKeyAOJHHYVHDDPGQZ-UHFFFAOYSA-N
XLogP2.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide
CID 119583792
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
CID 79652403
N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119656300
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethylanilino)-N-methylacetamide;dihydrochloride
CID 119657129
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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride (CID 119655363) is N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride is COc1cccc(OC)c1CC(=O)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride?
The InChIKey is AOJHHYVHDDPGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-16(2,10-17)11-18(3)15(19)9-12-13(20-4)7-6-8-14(12)21-5;/h6-8H,9-11,17H2,1-5H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119655363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).