N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide

C9H18BrNO3 — CID 154729990

IUPACN-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCCBr
InChIInChI=1S/C9H18BrNO3/c1-2-9(12)11-4-6-14-8-7-13-5-3-10/h2-8H2,1H3,(H,11,12)
InChIKeyXQHWPUWFZPYEEG-UHFFFAOYSA-N
MW268.15 g/mol
LogP0.94
Rot. Bonds9

About N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide

N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide (PubChem CID 154729990) has the molecular formula C9H18BrNO3 and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
PubChem CID154729990
Molecular FormulaC9H18BrNO3
Molecular Weight268.15 g/mol
Exact Mass267.05
IUPAC NameN-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCCBr
InChIInChI=1S/C9H18BrNO3/c1-2-9(12)11-4-6-14-8-7-13-5-3-10/h2-8H2,1H3,(H,11,12)
InChIKeyXQHWPUWFZPYEEG-UHFFFAOYSA-N
XLogP0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
N-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163401026
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
CID 114876985

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide (CID 154729990) is N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide is CCC(=O)NCCOCCOCCBr.
What is the InChIKey of N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide?
The InChIKey is XQHWPUWFZPYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3/c1-2-9(12)11-4-6-14-8-7-13-5-3-10/h2-8H2,1H3,(H,11,12).
What are the key properties of N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide?
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide has a molecular weight of 268.15 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 154729990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).