Home Other Building Blocks tert-butyl N-{1-[4-(3-cyanophenyl)phenyl]ethyl}carbamate

tert-butyl N-{1-[4-(3-cyanophenyl)phenyl]ethyl}carbamate

CAS No.:
1461715-34-3
Catalog Number:
AG01A66V
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
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Product Description
Catalog Number:
AG01A66V
Chemical Name:
tert-butyl N-{1-[4-(3-cyanophenyl)phenyl]ethyl}carbamate
CAS Number:
1461715-34-3
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
MDL Number:
MFCD25371732
IUPAC Name:
tert-butyl N-[1-[4-(3-cyanophenyl)phenyl]ethyl]carbamate
InChI:
InChI=1S/C20H22N2O2/c1-14(22-19(23)24-20(2,3)4)16-8-10-17(11-9-16)18-7-5-6-15(12-18)13-21/h5-12,14H,1-4H3,(H,22,23)
InChI Key:
KXQOEZKIJIBGGW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)C(NC(=O)OC(C)(C)C)C
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties