CAS 67964-87-8 | Octadecanamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]- | CAS Number 67964-87-8

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67964-87-8 | Octadecanamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-

CAS No: 67964-87-8 Catalog No: AG006HE7 MDL No:MFCD18382131

Product Description

Catalog Number:

AG006HE7

Chemical Name:

Octadecanamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-

CAS Number:

67964-87-8

Molecular Formula:

C28H46N2O2

Molecular Weight:

442.6770

MDL Number:

MFCD18382131

IUPAC Name:

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadecanamide

InChI:

InChI=1S/C28H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h18-19,22-23,30-31H,2-17,20-21H2,1H3,(H,29,32)

InChI Key:

FKWHKBXVLNKTGT-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2c1cc(O)cc2

Properties

Complexity:

470

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

442.356g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

442.688g/mol

Monoisotopic Mass:

442.356g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.9

Literature

Title	Journal
Presence, formation and putative biological activities of N-acyl serotonins, a novel class of fatty-acid derived mediators, in the intestinal tract.	Biochimica et biophysica acta 20111001