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141332-98-1

141332-98-1 | Ethanediamide, N1-[2-cyano-2-[3-(cyclopentyloxy)-4-methoxyphenyl]ethyl]-

CAS No: 141332-98-1 Catalog No: AG001G8C MDL No:

Product Description

Catalog Number:
AG001G8C
Chemical Name:
Ethanediamide, N1-[2-cyano-2-[3-(cyclopentyloxy)-4-methoxyphenyl]ethyl]-
CAS Number:
141332-98-1
Molecular Formula:
C17H21N3O4
Molecular Weight:
331.3663
IUPAC Name:
N'-[2-cyano-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide
InChI:
InChI=1S/C17H21N3O4/c1-23-14-7-6-11(8-15(14)24-13-4-2-3-5-13)12(9-18)10-20-17(22)16(19)21/h6-8,12-13H,2-5,10H2,1H3,(H2,19,21)(H,20,22)
InChI Key:
GRTXJQJVFSDENZ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)OC1CCCC1)OC)CNC(=O)C(=O)N

Properties

Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.153g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.372g/mol
Monoisotopic Mass:
331.153g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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