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

C22H28BrNO4 — CID 17189623

IUPAC2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1ccccc1NC(=O)COc1ccc(C(C)CC)cc1Br
InChIInChI=1S/C22H28BrNO4/c1-4-16(3)17-10-11-20(18(23)14-17)28-15-22(25)24-19-8-6-7-9-21(19)27-13-12-26-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,24,25)
InChIKeyLWINCIDAUGTOAS-UHFFFAOYSA-N
MW450.37 g/mol
LogP5.40
Rot. Bonds11

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

2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide (PubChem CID 17189623) has the molecular formula C22H28BrNO4 and a molecular weight of 450.37 g/mol. Its IUPAC name is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
PubChem CID17189623
Molecular FormulaC22H28BrNO4
Molecular Weight450.37 g/mol
Exact Mass449.12
IUPAC Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
SMILESCCOCCOc1ccccc1NC(=O)COc1ccc(C(C)CC)cc1Br
InChIInChI=1S/C22H28BrNO4/c1-4-16(3)17-10-11-20(18(23)14-17)28-15-22(25)24-19-8-6-7-9-21(19)27-13-12-26-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,24,25)
InChIKeyLWINCIDAUGTOAS-UHFFFAOYSA-N
XLogP5.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 55.40
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-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17189618
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide
CID 19201746
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17189556
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17189631
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17189648
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 17189754
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 17189571
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide (CID 17189623) is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide is CCOCCOc1ccccc1NC(=O)COc1ccc(C(C)CC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide?
The InChIKey is LWINCIDAUGTOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO4/c1-4-16(3)17-10-11-20(18(23)14-17)28-15-22(25)24-19-8-6-7-9-21(19)27-13-12-26-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,24,25).
What are the key properties of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide?
2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide has a molecular weight of 450.37 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17189623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).