2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide

C20H24BrNO4 — CID 17130580

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1ccc(NC(=O)COc2ccc(CC)cc2Br)cc1
InChIInChI=1S/C20H24BrNO4/c1-3-15-5-10-19(18(21)13-15)26-14-20(23)22-16-6-8-17(9-7-16)25-12-11-24-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23)
InChIKeyMLEBXNMRTCNQOU-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.44
Rot. Bonds10

About 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide (PubChem CID 17130580) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
PubChem CID17130580
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1ccc(NC(=O)COc2ccc(CC)cc2Br)cc1
InChIInChI=1S/C20H24BrNO4/c1-3-15-5-10-19(18(21)13-15)26-14-20(23)22-16-6-8-17(9-7-16)25-12-11-24-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23)
InChIKeyMLEBXNMRTCNQOU-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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

2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201701
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17189618
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157525
2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40965378
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952
cyclohexyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201882
N-(3,4-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732949
N-[4-(2-ethoxyethoxy)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 17130561

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide (CID 17130580) is 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide is CCOCCOc1ccc(NC(=O)COc2ccc(CC)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
The InChIKey is MLEBXNMRTCNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-3-15-5-10-19(18(21)13-15)26-14-20(23)22-16-6-8-17(9-7-16)25-12-11-24-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide has a molecular weight of 422.32 g/mol, XLogP of 4.44, 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-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17130580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).