2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide

C22H28BrNO3 — CID 19201698

IUPAC2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1
InChIInChI=1S/C22H28BrNO3/c1-5-6-11-26-18-9-7-17(8-10-18)24-22(25)14-27-21-12-16(4)20(23)13-19(21)15(2)3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,24,25)
InChIKeyVFFRLUWTJKGAFM-UHFFFAOYSA-N
MW434.37 g/mol
LogP6.08
Rot. Bonds9

About 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide (PubChem CID 19201698) has the molecular formula C22H28BrNO3 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
PubChem CID19201698
Molecular FormulaC22H28BrNO3
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1
InChIInChI=1S/C22H28BrNO3/c1-5-6-11-26-18-9-7-17(8-10-18)24-22(25)14-27-21-12-16(4)20(23)13-19(21)15(2)3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,24,25)
InChIKeyVFFRLUWTJKGAFM-UHFFFAOYSA-N
XLogP6.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 3280740
methyl 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1013614
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
CID 19202062
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenoxyphenyl)carbamothioyl]acetamide
CID 5118752
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2,4-dipropoxyphenyl)methylideneamino]acetamide
CID 4115730
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(4-cyanophenyl)carbamothioyl]acetamide
CID 5118754
2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201701
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202393
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide (CID 19201698) is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide is CCCCOc1ccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1.
What is the InChIKey of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
The InChIKey is VFFRLUWTJKGAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO3/c1-5-6-11-26-18-9-7-17(8-10-18)24-22(25)14-27-21-12-16(4)20(23)13-19(21)15(2)3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,24,25).
What are the key properties of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide has a molecular weight of 434.37 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide is sourced from PubChem (CID 19201698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).