5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide

C11H22BrNO2 — CID 107910777

IUPAC5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
SMILESCN(CCCCCO)C(=O)CCCCBr
InChIInChI=1S/C11H22BrNO2/c1-13(9-5-2-6-10-14)11(15)7-3-4-8-12/h14H,2-10H2,1H3
InChIKeyCXZCPEKATMSABY-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.17
Rot. Bonds9

About 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide

5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide (PubChem CID 107910777) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
PubChem CID107910777
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
SMILESCN(CCCCCO)C(=O)CCCCBr
InChIInChI=1S/C11H22BrNO2/c1-13(9-5-2-6-10-14)11(15)7-3-4-8-12/h14H,2-10H2,1H3
InChIKeyCXZCPEKATMSABY-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.17
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

3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
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
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-[3-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide?
The IUPAC name of 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide (CID 107910777) is 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide.
What is the SMILES notation for 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide?
The canonical SMILES for 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide is CN(CCCCCO)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide?
The InChIKey is CXZCPEKATMSABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-13(9-5-2-6-10-14)11(15)7-3-4-8-12/h14H,2-10H2,1H3.
What are the key properties of 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide?
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide has a molecular weight of 280.21 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide is sourced from PubChem (CID 107910777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).