2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide

C20H24BrNO4 — CID 17188963

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1
InChIInChI=1S/C20H24BrNO4/c1-14(2)18-12-15(21)4-9-19(18)26-13-20(23)22-16-5-7-17(8-6-16)25-11-10-24-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyXPPAMGIVOLKPDM-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.62
Rot. Bonds9

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 17188963) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
PubChem CID17188963
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1
InChIInChI=1S/C20H24BrNO4/c1-14(2)18-12-15(21)4-9-19(18)26-13-20(23)22-16-5-7-17(8-6-16)25-11-10-24-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyXPPAMGIVOLKPDM-UHFFFAOYSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.62
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-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 17235130
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 17189052
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17188894
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201698
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761161
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 3280740

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide (CID 17188963) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide is COCCOc1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is XPPAMGIVOLKPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-14(2)18-12-15(21)4-9-19(18)26-13-20(23)22-16-5-7-17(8-6-16)25-11-10-24-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 422.32 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17188963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).