N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide

C15H22BrNO3 — CID 66817387

IUPACN-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCN(C(C)=O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H22BrNO3/c1-11-9-14(10-12(2)15(11)16)17(13(3)18)5-6-20-8-7-19-4/h9-10H,5-8H2,1-4H3
InChIKeyJXMKTAXUHPUWHZ-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.08
Rot. Bonds7

About N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide

N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide (PubChem CID 66817387) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
PubChem CID66817387
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCN(C(C)=O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H22BrNO3/c1-11-9-14(10-12(2)15(11)16)17(13(3)18)5-6-20-8-7-19-4/h9-10H,5-8H2,1-4H3
InChIKeyJXMKTAXUHPUWHZ-UHFFFAOYSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 89114335
CID 89114335
CID 163872370
CID 163872370
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 122145796
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 58473536
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzoic acid
CID 112620899
ethyl (E)-3-[4-[acetyl(2-methoxyethyl)amino]phenyl]prop-2-enoate
CID 22113148
N-(4-bromo-3,5-dimethylphenyl)-N-oxidohydroxylamine
CID 163605068
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
CID 113128676

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide (CID 66817387) is N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide is COCCOCCN(C(C)=O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The InChIKey is JXMKTAXUHPUWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-11-9-14(10-12(2)15(11)16)17(13(3)18)5-6-20-8-7-19-4/h9-10H,5-8H2,1-4H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide?
N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide has a molecular weight of 344.25 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 66817387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).