4-Isobutyramido-1-naphthyl Isobutyrate - CAS 1624260-34-9

Catalog:	BB011871
Product Name:	4-Isobutyramido-1-naphthyl Isobutyrate
CAS:	1624260-34-9
Synonyms:	2-methylpropanoic acid [4-[(2-methyl-1-oxopropyl)amino]-1-naphthalenyl] ester; [4-(2-methylpropanoylamino)naphthalen-1-yl] 2-methylpropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-(2-methylpropanoylamino)naphthalen-1-yl] 2-methylpropanoate
Description:	4-Isobutyramido-1-naphthyl Isobutyrate (CAS# 1624260-34-9 ) is a useful research chemical.
Molecular Weight:	299.36
Molecular Formula:	C18H21NO3
Canonical SMILES:	CC(C)C(=O)NC1=CC=C(C2=CC=CC=C21)OC(=O)C(C)C
InChI:	InChI=1S/C18H21NO3/c1-11(2)17(20)19-15-9-10-16(22-18(21)12(3)4)14-8-6-5-7-13(14)15/h5-12H,1-4H3,(H,19,20)
InChI Key:	DRRZVYQAUIFWOU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2016376258-A1	1,2-naphthoquinone based derivative and method of preparing the same	20131230
US-9975883-B2	1,2-naphthoquinone based derivative and method of preparing the same	20131230
WO-2015102370-A1	1,2-naphthoquinone derivative and method for preparing same	20131230
US-10766882-B2	1,2-naphthoquinone based derivative and method of preparing the same	20131230

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Complexity:	405
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	299.15214353
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	299.15214353
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2