4-[2-(Boc-amino)-2-propyl]benzonitrile - CAS 1588517-19-4

Catalog:	BB011468
Product Name:	4-[2-(Boc-amino)-2-propyl]benzonitrile
CAS:	1588517-19-4
Synonyms:	N-[2-(4-cyanophenyl)propan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[2-(4-cyanophenyl)propan-2-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[2-(4-cyanophenyl)propan-2-yl]carbamate
Description:	4-[2-(Boc-amino)-2-propyl]benzonitrile (CAS# 1588517-19-4) is a useful research chemical compound.
Molecular Weight:	260.33
Molecular Formula:	C15H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC(C)(C)C1=CC=C(C=C1)C#N
InChI:	InChI=1S/C15H20N2O2/c1-14(2,3)19-13(18)17-15(4,5)12-8-6-11(10-16)7-9-12/h6-9H,1-5H3,(H,17,18)
InChI Key:	AGRYHTNYRWVBKN-UHFFFAOYSA-N
LogP:	3.70898

Publication Number	Title	Priority Date
CA-3001799-A1	Benzolactam compounds as protein kinase inhibitors	20151021
US-10457669-B2	Benzolactam compounds as protein kinase inhibitors	20151021
US-2019047990-A1	Benzolactam compounds as protein kinase inhibitors	20151021
AU-2021200951-A1	Benzolactam compounds as protein kinase inhibitors	20151021
US-11001575-B1	Benzolactam compounds as protein kinase inhibitors	20151021

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Complexity:	365
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.152477885
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.152477885
Rotatable Bond Count:	4
Topological Polar Surface Area:	62.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7