2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide

C20H24BrNO2 — CID 46764494

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCc1ccc(OCC(=O)NC(CC)c2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C20H24BrNO2/c1-4-15-8-11-19(17(21)12-15)24-13-20(23)22-18(5-2)16-9-6-14(3)7-10-16/h6-12,18H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyOEMCRKCUXXZKHV-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.97
Rot. Bonds7

About 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 46764494) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID46764494
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCc1ccc(OCC(=O)NC(CC)c2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C20H24BrNO2/c1-4-15-8-11-19(17(21)12-15)24-13-20(23)22-18(5-2)16-9-6-14(3)7-10-16/h6-12,18H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyOEMCRKCUXXZKHV-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 93487665
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28577029
2-(2-bromo-4-ethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43875399
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 46761764
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 7865822
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8563411

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide (CID 46764494) is 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide is CCc1ccc(OCC(=O)NC(CC)c2ccc(C)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is OEMCRKCUXXZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-4-15-8-11-19(17(21)12-15)24-13-20(23)22-18(5-2)16-9-6-14(3)7-10-16/h6-12,18H,4-5,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 390.32 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 46764494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).