N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride

C15H24BrClN2O3 — CID 119805687

IUPACN-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)CNCCOC.Cl
InChIInChI=1S/C15H23BrN2O3.ClH/c1-3-18(15(19)12-17-8-10-20-2)9-11-21-14-6-4-13(16)5-7-14;/h4-7,17H,3,8-12H2,1-2H3;1H
InChIKeyXTGAKQHJFVGPJH-UHFFFAOYSA-N
MW395.73 g/mol
LogP2.33
Rot. Bonds10

About N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119805687) has the molecular formula C15H24BrClN2O3 and a molecular weight of 395.73 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119805687
Molecular FormulaC15H24BrClN2O3
Molecular Weight395.73 g/mol
Exact Mass394.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)CNCCOC.Cl
InChIInChI=1S/C15H23BrN2O3.ClH/c1-3-18(15(19)12-17-8-10-20-2)9-11-21-14-6-4-13(16)5-7-14;/h4-7,17H,3,8-12H2,1-2H3;1H
InChIKeyXTGAKQHJFVGPJH-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
CID 119336178
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide
CID 120563461
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N,N-diethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]acetamide
CID 104562812
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
4-[[2-(4-bromophenoxy)ethyl-ethylcarbamoyl]amino]butanoic acid
CID 122023110
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 108998980
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 71873234
2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
N-ethyl-2-(2-methoxyethylamino)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732327

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119805687) is N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride is CCN(CCOc1ccc(Br)cc1)C(=O)CNCCOC.Cl.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is XTGAKQHJFVGPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3.ClH/c1-3-18(15(19)12-17-8-10-20-2)9-11-21-14-6-4-13(16)5-7-14;/h4-7,17H,3,8-12H2,1-2H3;1H.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 395.73 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119805687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).