2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

C18H20BrNO3 — CID 9372061

IUPAC2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H20BrNO3/c1-13-4-3-5-15(10-13)22-9-8-20-18(21)12-23-17-7-6-14(2)11-16(17)19/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyYDVXKZKSLCCIJA-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.64
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 9372061) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID9372061
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H20BrNO3/c1-13-4-3-5-15(10-13)22-9-8-20-18(21)12-23-17-7-6-14(2)11-16(17)19/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyYDVXKZKSLCCIJA-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.64
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-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide
CID 17422361
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 40755682
2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133202
2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9484953
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 9372061) is 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)COc2ccc(C)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is YDVXKZKSLCCIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13-4-3-5-15(10-13)22-9-8-20-18(21)12-23-17-7-6-14(2)11-16(17)19/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 378.27 g/mol, XLogP of 3.64, 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-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 9372061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).