N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide

C14H21BrN2O2 — CID 119771057

IUPACN-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)CCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-17(14(18)11-16-8-10-19-2)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyCKRGGCFPUOXSRI-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.69
Rot. Bonds8

About N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide

N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 119771057) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID119771057
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)CCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-17(14(18)11-16-8-10-19-2)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyCKRGGCFPUOXSRI-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119801130
N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
CID 115153366
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
2-(2-methoxyethylamino)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753328
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119805687
2-(2-methoxyethylamino)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 119807198

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide (CID 119771057) is N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)CCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is CKRGGCFPUOXSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-17(14(18)11-16-8-10-19-2)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 329.24 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 119771057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).