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Home Other Building Blocks Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-

Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-

CAS No.:
58493-50-8
Catalog Number:
AG00F1NY
Molecular Formula:
C26H45NO3
Molecular Weight:
419.6404
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Product Description
Catalog Number:
AG00F1NY
Chemical Name:
Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
CAS Number:
58493-50-8
Molecular Formula:
C26H45NO3
Molecular Weight:
419.6404
MDL Number:
MFCD01755188
IUPAC Name:
N-[(4-hydroxy-3-methoxyphenyl)methyl]octadecanamide
InChI:
InChI=1S/C26H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h19-21,28H,3-18,22H2,1-2H3,(H,27,29)
InChI Key:
SBFFPOWNFONUBK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(c(c1)OC)O
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.34g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
419.65g/mol
Monoisotopic Mass:
419.34g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1  
Literature
Title Journal
Long-chain N-vanillyl-acylamides from Capsicum oleoresin. Journal of agricultural and food chemistry 20100324
N-Acylvanillamides: development of an expeditious synthesis and discovery of new acyl templates for powerful activation of the vanilloid receptor. Journal of medicinal chemistry 20020815
Properties