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

C16H27ClN2O2 — CID 119652992

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
SMILESCCc1ccc(OCC(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-13-6-8-14(9-7-13)20-10-15(19)18(4)12-16(2,3)11-17;/h6-9H,5,10-12,17H2,1-4H3;1H
InChIKeyPVXAHJJFCPLLNL-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.49
Rot. Bonds7

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

N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride (PubChem CID 119652992) 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-(4-ethylphenoxy)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
PubChem CID119652992
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
SMILESCCc1ccc(OCC(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-13-6-8-14(9-7-13)20-10-15(19)18(4)12-16(2,3)11-17;/h6-9H,5,10-12,17H2,1-4H3;1H
InChIKeyPVXAHJJFCPLLNL-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119652511
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide;hydrochloride
CID 119654426
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119655468
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride (CID 119652992) is N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride is CCc1ccc(OCC(=O)N(C)CC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride?
The InChIKey is PVXAHJJFCPLLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-5-13-6-8-14(9-7-13)20-10-15(19)18(4)12-16(2,3)11-17;/h6-9H,5,10-12,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.49, 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)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119652992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).