N-(4-Hydroxy-3-methoxyphenethyl)-2-(3-hydroxy-4-methoxyphenyl)acetamide - CAS 21411-19-8

Catalog:	BB061037
Product Name:	N-(4-Hydroxy-3-methoxyphenethyl)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CAS:	21411-19-8
Synonyms:	3-Hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxybenzeneacetamide

Technical Data

IUPAC Name:	2-(3-hydroxy-4-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
Description:	Used in the preparation of polyphenolic tetrahydroisoquinoline alkaloids, N-norreticuline and its derivaties and phellodendrine analogs as allergy inhibitors.
Molecular Weight:	331.36
Molecular Formula:	C18H21NO5
Canonical SMILES:	COC1=C(C=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)O)OC)O
InChI:	InChI=1S/C18H21NO5/c1-23-16-6-4-13(9-15(16)21)11-18(22)19-8-7-12-3-5-14(20)17(10-12)24-2/h3-6,9-10,20-21H,7-8,11H2,1-2H3,(H,19,22)
InChI Key:	HATIEXNDDUZONH-UHFFFAOYSA-N
Solubility:	Dimethylformamide, Methanol
Appearance:	Off-white Solid
References:	Rice, K. & Brossi, A. J. Org. Chem., 45, 592 (1980); Teitel, S. & Brossi, A. J. Heterocyclic Chem., 5, 825 (1968).

Complexity:	392
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	331.14197277
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	331.14197277
Rotatable Bond Count:	7
Topological Polar Surface Area:	88Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6