2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide

C24H32BrNO3 — CID 17051658

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1
InChIInChI=1S/C24H32BrNO3/c1-5-6-7-8-15-28-20-12-10-19(11-13-20)26-23(27)17-29-22-14-9-18(25)16-21(22)24(2,3)4/h9-14,16H,5-8,15,17H2,1-4H3,(H,26,27)
InChIKeyHBWMOSZBQJIJCP-UHFFFAOYSA-N
MW462.43 g/mol
LogP6.72
Rot. Bonds10

About 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide (PubChem CID 17051658) has the molecular formula C24H32BrNO3 and a molecular weight of 462.43 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
PubChem CID17051658
Molecular FormulaC24H32BrNO3
Molecular Weight462.43 g/mol
Exact Mass461.16
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1
InChIInChI=1S/C24H32BrNO3/c1-5-6-7-8-15-28-20-12-10-19(11-13-20)26-23(27)17-29-22-14-9-18(25)16-21(22)24(2,3)4/h9-14,16H,5-8,15,17H2,1-4H3,(H,26,27)
InChIKeyHBWMOSZBQJIJCP-UHFFFAOYSA-N
XLogP6.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19166259
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270961
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide (CID 17051658) is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide is CCCCCCOc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide?
The InChIKey is HBWMOSZBQJIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO3/c1-5-6-7-8-15-28-20-12-10-19(11-13-20)26-23(27)17-29-22-14-9-18(25)16-21(22)24(2,3)4/h9-14,16H,5-8,15,17H2,1-4H3,(H,26,27).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide has a molecular weight of 462.43 g/mol, XLogP of 6.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide is sourced from PubChem (CID 17051658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).