2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide

C18H27BrN2O2 — CID 99972159

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
SMILESCCc1ccc(OCC(=O)NCCC2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C18H27BrN2O2/c1-3-14-4-5-17(16(19)12-14)23-13-18(22)20-9-6-15-7-10-21(2)11-8-15/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,20,22)
InChIKeyJGVUJASBBATUOF-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.24
Rot. Bonds7

About 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide (PubChem CID 99972159) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
PubChem CID99972159
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
SMILESCCc1ccc(OCC(=O)NCCC2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C18H27BrN2O2/c1-3-14-4-5-17(16(19)12-14)23-13-18(22)20-9-6-15-7-10-21(2)11-8-15/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,20,22)
InChIKeyJGVUJASBBATUOF-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 50947183
1-N',4-N'-bis[2-(2-bromo-4-ethylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927256
2-(3,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99702462
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 99119931
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
1-[2-(2-bromo-4-ethylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 54793766
N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-cyclopentylacetamide
CID 54786938
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide (CID 99972159) is 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide is CCc1ccc(OCC(=O)NCCC2CCN(C)CC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The InChIKey is JGVUJASBBATUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-3-14-4-5-17(16(19)12-14)23-13-18(22)20-9-6-15-7-10-21(2)11-8-15/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide has a molecular weight of 383.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 99972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).