2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C20H31BrN4O4 — CID 24507226

IUPAC2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H31BrN4O4/c1-23(12-14-29-18-5-3-17(21)4-6-18)20(27)16-25-10-8-24(9-11-25)15-19(26)22-7-13-28-2/h3-6H,7-16H2,1-2H3,(H,22,26)
InChIKeyGPEPFRKIVQWJPT-UHFFFAOYSA-N
MW471.40 g/mol
LogP0.67
Rot. Bonds11

About 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 24507226) has the molecular formula C20H31BrN4O4 and a molecular weight of 471.40 g/mol. Its IUPAC name is 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID24507226
Molecular FormulaC20H31BrN4O4
Molecular Weight471.40 g/mol
Exact Mass470.15
IUPAC Name2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H31BrN4O4/c1-23(12-14-29-18-5-3-17(21)4-6-18)20(27)16-25-10-8-24(9-11-25)15-19(26)22-7-13-28-2/h3-6H,7-16H2,1-2H3,(H,22,26)
InChIKeyGPEPFRKIVQWJPT-UHFFFAOYSA-N
XLogP0.67
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 29235706
2-[4-[2-(4-bromophenyl)-2-methylpropanoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78884059
2-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51239949
3-[[2-(4-bromophenoxy)ethyl-methylcarbamoyl]amino]propanoic acid
CID 122019494
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62112405
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
2-[4-[N-[(4-bromo-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111977490
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 24507226) is 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GPEPFRKIVQWJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BrN4O4/c1-23(12-14-29-18-5-3-17(21)4-6-18)20(27)16-25-10-8-24(9-11-25)15-19(26)22-7-13-28-2/h3-6H,7-16H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 471.40 g/mol, XLogP of 0.67, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 24507226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).