N-(2-bromo-3-methoxypropyl)-N-methyldecanamide

C15H30BrNO2 — CID 80671744

IUPACN-(2-bromo-3-methoxypropyl)-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)CC(Br)COC
InChIInChI=1S/C15H30BrNO2/c1-4-5-6-7-8-9-10-11-15(18)17(2)12-14(16)13-19-3/h14H,4-13H2,1-3H3
InChIKeyLYCZCKLRKFFKMD-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.00
Rot. Bonds12

About N-(2-bromo-3-methoxypropyl)-N-methyldecanamide

N-(2-bromo-3-methoxypropyl)-N-methyldecanamide (PubChem CID 80671744) has the molecular formula C15H30BrNO2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N-methyldecanamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N-methyldecanamide
PubChem CID80671744
Molecular FormulaC15H30BrNO2
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-(2-bromo-3-methoxypropyl)-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)CC(Br)COC
InChIInChI=1S/C15H30BrNO2/c1-4-5-6-7-8-9-10-11-15(18)17(2)12-14(16)13-19-3/h14H,4-13H2,1-3H3
InChIKeyLYCZCKLRKFFKMD-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.00
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'}

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N-(2-amino-3-methoxypropyl)-N-methylheptanamide
CID 114754106
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
N-(2-chloropropyl)-N-methylhexanamide
CID 63394168
N-(methoxymethoxymethyl)-N-methylnonanamide
CID 89419613
N-(3-amino-2-methylpropyl)-N-methyldecanamide
CID 65448907
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide
CID 171659044

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyldecanamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyldecanamide (CID 80671744) is N-(2-bromo-3-methoxypropyl)-N-methyldecanamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N-methyldecanamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N-methyldecanamide is CCCCCCCCCC(=O)N(C)CC(Br)COC.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N-methyldecanamide?
The InChIKey is LYCZCKLRKFFKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO2/c1-4-5-6-7-8-9-10-11-15(18)17(2)12-14(16)13-19-3/h14H,4-13H2,1-3H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N-methyldecanamide?
N-(2-bromo-3-methoxypropyl)-N-methyldecanamide has a molecular weight of 336.31 g/mol, XLogP of 4.00, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N-methyldecanamide is sourced from PubChem (CID 80671744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).