2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C19H29BrN2O2 — CID 2233461

IUPAC2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Br
InChIInChI=1S/C19H29BrN2O2/c1-12-8-16(13(2)7-15(12)20)24-11-17(23)21-14-9-18(3,4)22-19(5,6)10-14/h7-8,14,22H,9-11H2,1-6H3,(H,21,23)
InChIKeyWHYWRXJRSCOPRB-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 2233461) has the molecular formula C19H29BrN2O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID2233461
Molecular FormulaC19H29BrN2O2
Molecular Weight397.36 g/mol
Exact Mass396.14
IUPAC Name2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Br
InChIInChI=1S/C19H29BrN2O2/c1-12-8-16(13(2)7-15(12)20)24-11-17(23)21-14-9-18(3,4)22-19(5,6)10-14/h7-8,14,22H,9-11H2,1-6H3,(H,21,23)
InChIKeyWHYWRXJRSCOPRB-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)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

2-(2-bromo-4-isopropylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 1319582
2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
CID 803345
N-(1-methyl(4-piperidyl))-2-[5-methyl-2-(methylethyl)phenoxy]acetamide
CID 2971269
2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1101341
2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide
CID 803209
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-2-m-tolyloxy-acetamide
CID 3153391
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide
CID 803348
2-(4-bromo-3,5-dimethylphenoxy)-N-isopropylacetamide
CID 848197
2-(4-bromo-3-methylphenoxy)-N-[2-(4-morpholinyl)ethyl]acetamide
CID 1287636
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 1328862
Ethyl 1-[(4-bromo-2,5-dimethylphenoxy)acetyl]-4-piperidinecarboxylate
CID 2233577
2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2299889

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 2233461) is 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is Cc1cc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is WHYWRXJRSCOPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2/c1-12-8-16(13(2)7-15(12)20)24-11-17(23)21-14-9-18(3,4)22-19(5,6)10-14/h7-8,14,22H,9-11H2,1-6H3,(H,21,23).
What are the key properties of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 397.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 2233461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).