3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide

C9H18BrNO2 — CID 107198834

IUPAC3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCN(CCCCCO)C(=O)CCBr
InChIInChI=1S/C9H18BrNO2/c1-11(9(13)5-6-10)7-3-2-4-8-12/h12H,2-8H2,1H3
InChIKeyBYRVANPKHGDIRB-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.39
Rot. Bonds7

About 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide

3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide (PubChem CID 107198834) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
PubChem CID107198834
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCN(CCCCCO)C(=O)CCBr
InChIInChI=1S/C9H18BrNO2/c1-11(9(13)5-6-10)7-3-2-4-8-12/h12H,2-8H2,1H3
InChIKeyBYRVANPKHGDIRB-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.39
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

5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide
CID 142768224
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202880
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide?
The IUPAC name of 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide (CID 107198834) is 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide.
What is the SMILES notation for 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide?
The canonical SMILES for 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide is CN(CCCCCO)C(=O)CCBr.
What is the InChIKey of 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide?
The InChIKey is BYRVANPKHGDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-11(9(13)5-6-10)7-3-2-4-8-12/h12H,2-8H2,1H3.
What are the key properties of 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide?
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide has a molecular weight of 252.15 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide is sourced from PubChem (CID 107198834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).