2-(5-bromopentoxy)-N-butyl-N-methylacetamide

C12H24BrNO2 — CID 54372321

IUPAC2-(5-bromopentoxy)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCCCCBr
InChIInChI=1S/C12H24BrNO2/c1-3-4-9-14(2)12(15)11-16-10-7-5-6-8-13/h3-11H2,1-2H3
InChIKeyUUBLFTZUCORBCF-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.83
Rot. Bonds10

About 2-(5-bromopentoxy)-N-butyl-N-methylacetamide

2-(5-bromopentoxy)-N-butyl-N-methylacetamide (PubChem CID 54372321) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(5-bromopentoxy)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromopentoxy)-N-butyl-N-methylacetamide
PubChem CID54372321
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name2-(5-bromopentoxy)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCCCCBr
InChIInChI=1S/C12H24BrNO2/c1-3-4-9-14(2)12(15)11-16-10-7-5-6-8-13/h3-11H2,1-2H3
InChIKeyUUBLFTZUCORBCF-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromopentoxy)-N-butyl-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentoxy)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(5-bromopentoxy)-N-butyl-N-methylacetamide (CID 54372321) is 2-(5-bromopentoxy)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(5-bromopentoxy)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(5-bromopentoxy)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)COCCCCCBr.
What is the InChIKey of 2-(5-bromopentoxy)-N-butyl-N-methylacetamide?
The InChIKey is UUBLFTZUCORBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-3-4-9-14(2)12(15)11-16-10-7-5-6-8-13/h3-11H2,1-2H3.
What are the key properties of 2-(5-bromopentoxy)-N-butyl-N-methylacetamide?
2-(5-bromopentoxy)-N-butyl-N-methylacetamide has a molecular weight of 294.23 g/mol, XLogP of 2.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentoxy)-N-butyl-N-methylacetamide is sourced from PubChem (CID 54372321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).