[R-(R,R)]-N-(2-Hydroxy-1-phenylethyl)-2-methylbutanamide - CAS 114862-02-1

Catalog:	BB063984
Product Name:	[R-(R,R)]-N-(2-Hydroxy-1-phenylethyl)-2-methylbutanamide
CAS:	114862-02-1
Synonyms:	[R-(R,R)]-N-(2-Hydroxy-1-phenylethyl)-2-methylbutanamide; (2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbutanamide

Technical Data

IUPAC Name:	(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbutanamide
Description:	[R-(R,R)]-N-(2-Hydroxy-1-phenylethyl)-2-methylbutanamide is an intermediate in the synthesis of (R)-2-Methylbutyric Acid (M294365), an important aroma compound found in apples.
Molecular Weight:	221.3
Molecular Formula:	C13H19NO2
Canonical SMILES:	CCC(C)C(=O)NC(CO)C1=CC=CC=C1
InChI:	InChI=1S/C13H19NO2/c1-3-10(2)13(16)14-12(9-15)11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,14,16)/t10-,12+/m1/s1
InChI Key:	DLCQLMHJQKRDPA-PWSUYJOCSA-N
Solubility:	DCM, Ethyl Acetate, Methanol
Appearance:	Off-White Solid

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	221.141578849
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	221.141578849
Rotatable Bond Count:	5
Topological Polar Surface Area:	49.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8