N-(2-bromoethyl)-2-propoxyacetamide

C7H14BrNO2 — CID 107941217

IUPACN-(2-bromoethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCCBr
InChIInChI=1S/C7H14BrNO2/c1-2-5-11-6-7(10)9-4-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyJUVJVOFURDBQDB-UHFFFAOYSA-N
MW224.10 g/mol
LogP0.92
Rot. Bonds6

About N-(2-bromoethyl)-2-propoxyacetamide

N-(2-bromoethyl)-2-propoxyacetamide (PubChem CID 107941217) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-propoxyacetamide
PubChem CID107941217
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC NameN-(2-bromoethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCCBr
InChIInChI=1S/C7H14BrNO2/c1-2-5-11-6-7(10)9-4-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyJUVJVOFURDBQDB-UHFFFAOYSA-N
XLogP0.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
2-(bromomethoxy)-N-propylacetamide
CID 140767535
N-(5-iodopentyl)-2-propoxyacetamide
CID 107941565
N-(3-hydroxypentyl)-2-propoxyacetamide
CID 103774767
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
N-(11-oxododecyl)-2-propoxyacetamide
CID 20692360
N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
CID 106306751
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-propoxyacetamide?
The IUPAC name of N-(2-bromoethyl)-2-propoxyacetamide (CID 107941217) is N-(2-bromoethyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-bromoethyl)-2-propoxyacetamide?
The canonical SMILES for N-(2-bromoethyl)-2-propoxyacetamide is CCCOCC(=O)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-2-propoxyacetamide?
The InChIKey is JUVJVOFURDBQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2/c1-2-5-11-6-7(10)9-4-3-8/h2-6H2,1H3,(H,9,10).
What are the key properties of N-(2-bromoethyl)-2-propoxyacetamide?
N-(2-bromoethyl)-2-propoxyacetamide has a molecular weight of 224.10 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-propoxyacetamide is sourced from PubChem (CID 107941217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).