5-bromo-N-(2-butoxyethyl)pentanamide

C11H22BrNO2 — CID 10016485

IUPAC5-bromo-N-(2-butoxyethyl)pentanamide
SMILESCCCCOCCNC(=O)CCCCBr
InChIInChI=1S/C11H22BrNO2/c1-2-3-9-15-10-8-13-11(14)6-4-5-7-12/h2-10H2,1H3,(H,13,14)
InChIKeyXIRPYLNUCJNDIA-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.48
Rot. Bonds10

About 5-bromo-N-(2-butoxyethyl)pentanamide

5-bromo-N-(2-butoxyethyl)pentanamide (PubChem CID 10016485) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 5-bromo-N-(2-butoxyethyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-butoxyethyl)pentanamide
PubChem CID10016485
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name5-bromo-N-(2-butoxyethyl)pentanamide
SMILESCCCCOCCNC(=O)CCCCBr
InChIInChI=1S/C11H22BrNO2/c1-2-3-9-15-10-8-13-11(14)6-4-5-7-12/h2-10H2,1H3,(H,13,14)
InChIKeyXIRPYLNUCJNDIA-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.48
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'}

Analyze 5-bromo-N-(2-butoxyethyl)pentanamide 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-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-butoxyethyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-butoxyethyl)pentanamide (CID 10016485) is 5-bromo-N-(2-butoxyethyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-butoxyethyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-butoxyethyl)pentanamide is CCCCOCCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2-butoxyethyl)pentanamide?
The InChIKey is XIRPYLNUCJNDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-2-3-9-15-10-8-13-11(14)6-4-5-7-12/h2-10H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(2-butoxyethyl)pentanamide?
5-bromo-N-(2-butoxyethyl)pentanamide has a molecular weight of 280.21 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-butoxyethyl)pentanamide is sourced from PubChem (CID 10016485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).