2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide

C20H24BrNO4 — CID 32933896

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCCOc2ccccc2)cc1OCC
InChIInChI=1S/C20H24BrNO4/c1-3-24-18-12-15(17(21)14-19(18)25-4-2)13-20(23)22-10-11-26-16-8-6-5-7-9-16/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,22,23)
InChIKeyXFDNKRJLYSYXDI-UHFFFAOYSA-N
MW422.32 g/mol
LogP3.98
Rot. Bonds10

About 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide (PubChem CID 32933896) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
PubChem CID32933896
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCCOc2ccccc2)cc1OCC
InChIInChI=1S/C20H24BrNO4/c1-3-24-18-12-15(17(21)14-19(18)25-4-2)13-20(23)22-10-11-26-16-8-6-5-7-9-16/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,22,23)
InChIKeyXFDNKRJLYSYXDI-UHFFFAOYSA-N
XLogP3.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.98
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

N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
2-(2-bromo-4,5-diethoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 55798813
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 46598081
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate
CID 75416268
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 41276979
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide (CID 32933896) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide is CCOc1cc(Br)c(CC(=O)NCCOc2ccccc2)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is XFDNKRJLYSYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-3-24-18-12-15(17(21)14-19(18)25-4-2)13-20(23)22-10-11-26-16-8-6-5-7-9-16/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 422.32 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 32933896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).