N-(3-bromo-4-methoxybutyl)dodecanamide

C17H34BrNO2 — CID 106245142

IUPACN-(3-bromo-4-methoxybutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCC(Br)COC
InChIInChI=1S/C17H34BrNO2/c1-3-4-5-6-7-8-9-10-11-12-17(20)19-14-13-16(18)15-21-2/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeySUZGPYDFLIWMSL-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.82
Rot. Bonds15

About N-(3-bromo-4-methoxybutyl)dodecanamide

N-(3-bromo-4-methoxybutyl)dodecanamide (PubChem CID 106245142) has the molecular formula C17H34BrNO2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)dodecanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)dodecanamide
PubChem CID106245142
Molecular FormulaC17H34BrNO2
Molecular Weight364.37 g/mol
Exact Mass363.18
IUPAC NameN-(3-bromo-4-methoxybutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCC(Br)COC
InChIInChI=1S/C17H34BrNO2/c1-3-4-5-6-7-8-9-10-11-12-17(20)19-14-13-16(18)15-21-2/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeySUZGPYDFLIWMSL-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.82
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

N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-(3-chloro-4-methoxybutyl)nonanamide
CID 114163175
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N-(4-bromopentyl)heptanamide
CID 106131403
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-(5-bromo-4-methylpentyl)hexanamide
CID 106157334
N-(3-chlorobutyl)heptanamide
CID 114753993
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)dodecanamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)dodecanamide (CID 106245142) is N-(3-bromo-4-methoxybutyl)dodecanamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)dodecanamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)dodecanamide is CCCCCCCCCCCC(=O)NCCC(Br)COC.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)dodecanamide?
The InChIKey is SUZGPYDFLIWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO2/c1-3-4-5-6-7-8-9-10-11-12-17(20)19-14-13-16(18)15-21-2/h16H,3-15H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methoxybutyl)dodecanamide?
N-(3-bromo-4-methoxybutyl)dodecanamide has a molecular weight of 364.37 g/mol, XLogP of 4.82, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)dodecanamide is sourced from PubChem (CID 106245142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).