[2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester - CAS 209784-85-0

Catalog:	BB074634
Product Name:	[2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester
CAS:	209784-85-0
Synonyms:	tert-Butyl (2-(4-(aminomethyl)benzamido)phenyl)carbamate; tert-Butyl N-(2-{[4-(aminomethyl)benzene]amido}phenyl)carbamate; tert-butyl N-[2-[[4-(aminomethyl)benzoyl]amino]phenyl]carbamate; [2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester; tert-Butyl(2-(4-(aminomethyl)benzamido)phenyl)carbamate

Technical Data

IUPAC Name:	tert-butyl N-[2-[[4-(aminomethyl)benzoyl]amino]phenyl]carbamate
Description:	[2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester is a reactant for the preparation of benzamide derivatives for enzyme inhibitors and anticancer agents
Molecular Weight:	542.67
Molecular Formula:	C19H23N3O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN
InChI:	InChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-16-7-5-4-6-15(16)21-17(23)14-10-8-13(12-20)9-11-14/h4-11H,12,20H2,1-3H3,(H,21,23)(H,22,24)
InChI Key:	KHBAZSBJXFMJSA-UHFFFAOYSA-N

Complexity:	453
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	341.1739416
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	341.1739416
Rotatable Bond Count:	6
Topological Polar Surface Area:	93.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2