CAS 22375-73-1 | Acetamide,N-[2-(6-methoxy-1H-indol-3-yl)ethyl]- | CAS Number 22375-73-1

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22375-73-1 | Acetamide,N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-

CAS No: 22375-73-1 Catalog No: AG007OMP MDL No:

Product Description

Catalog Number:

AG007OMP

Chemical Name:

Acetamide,N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-

CAS Number:

22375-73-1

Molecular Formula:

C13H16N2O2

Molecular Weight:

232.2783

IUPAC Name:

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

InChI:

InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-7-11(17-2)3-4-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)

InChI Key:

NJYPALQXNVNJOH-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)[nH]cc2CCNC(=O)C

Properties

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.283g/mol

Monoisotopic Mass:

232.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Determination of melatonin in saliva using automated solid-phase extraction, high-performance liquid chromatography and fluorescence detection.	Scandinavian journal of clinical and laboratory investigation 20060101
Three-dimensional quantitative structure-activity relationship studies on selected MT1 and MT2 melatonin receptor ligands: requirements for subtype selectivity and intrinsic activity modulation.	Journal of medicinal chemistry 20030410