N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide

C10H20BrNO4 — CID 106245181

IUPACN-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCCC(Br)COC
InChIInChI=1S/C10H20BrNO4/c1-14-5-6-16-8-10(13)12-4-3-9(11)7-15-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyFDGZLKZPZGNKJZ-UHFFFAOYSA-N
MW298.18 g/mol
LogP0.57
Rot. Bonds10

About N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide

N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 106245181) has the molecular formula C10H20BrNO4 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide
PubChem CID106245181
Molecular FormulaC10H20BrNO4
Molecular Weight298.18 g/mol
Exact Mass297.06
IUPAC NameN-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCCC(Br)COC
InChIInChI=1S/C10H20BrNO4/c1-14-5-6-16-8-10(13)12-4-3-9(11)7-15-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyFDGZLKZPZGNKJZ-UHFFFAOYSA-N
XLogP0.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide
CID 106244897
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-(3-bromo-4-methoxybutyl)dodecanamide
CID 106245142
2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide
CID 108574831
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
N-(3-bromo-4-methoxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106245359
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
N-ethyl-2-(2-methoxyethoxy)acetamide
CID 60651065
2-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 103606873
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-(3-octadecoxy-4-tetradecoxybutyl)acetamide
CID 87497700

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide (CID 106245181) is N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCCC(Br)COC.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is FDGZLKZPZGNKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO4/c1-14-5-6-16-8-10(13)12-4-3-9(11)7-15-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide?
N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 298.18 g/mol, XLogP of 0.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 106245181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).