N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide

C13H18BrNO3 — CID 122145796

IUPACN-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide
SMILESCOCCOCC(=O)N(C)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-10-4-5-11(8-12(10)14)15(2)13(16)9-18-7-6-17-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRXGDZSCEQUKNCG-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.38
Rot. Bonds6

About N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide

N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide (PubChem CID 122145796) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide
PubChem CID122145796
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide
SMILESCOCCOCC(=O)N(C)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-10-4-5-11(8-12(10)14)15(2)13(16)9-18-7-6-17-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRXGDZSCEQUKNCG-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.38
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

2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-N-(4-methylphenyl)acetamide
CID 143038199
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide
CID 3944962
4-(3-bromo-4-methoxy-N-methylanilino)-4-oxobutanoic acid
CID 115163676
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
CID 107283407
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
CID 113128676
N-(3-bromo-4-methylphenyl)acetohydrazide
CID 82293551

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide (CID 122145796) is N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide is COCCOCC(=O)N(C)c1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide?
The InChIKey is RXGDZSCEQUKNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-10-4-5-11(8-12(10)14)15(2)13(16)9-18-7-6-17-3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide?
N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide has a molecular weight of 316.20 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide is sourced from PubChem (CID 122145796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).