CAS 101858-27-9 | 9-Octadecenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]- | CAS Number 101858-27-9

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101858-27-9 | 9-Octadecenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-

CAS No: 101858-27-9 Catalog No: AG0005RU MDL No:

Product Description

Catalog Number:

AG0005RU

Chemical Name:

9-Octadecenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-

CAS Number:

101858-27-9

Molecular Formula:

C26H43NO3

Molecular Weight:

417.6245

IUPAC Name:

N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide

InChI:

InChI=1S/C26H43NO3/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/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)

InChI Key:

OPZKBPQVWDSATI-UHFFFAOYSA-N

SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O

Properties

Complexity:

438

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

417.324g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

417.634g/mol

Monoisotopic Mass:

417.324g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.1

Literature

Title	Journal
Long-chain N-vanillyl-acylamides from Capsicum oleoresin.	Journal of agricultural and food chemistry 20100324
Supercritical CO2 as a reaction medium for synthesis of capsaicin analogues by lipase-catalyzed transacylation of capsaicin.	Biotechnology letters 20030901