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823797-50-8

823797-50-8 | Cyclohexanebutanamide, N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-

CAS No: 823797-50-8 Catalog No: AG005CX9 MDL No:

Product Description

Catalog Number:
AG005CX9
Chemical Name:
Cyclohexanebutanamide, N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-
CAS Number:
823797-50-8
Molecular Formula:
C19H27NO4
Molecular Weight:
333.4220
IUPAC Name:
N-[(2,4-dimethoxyphenyl)methyl]-4-(2-oxocyclohexyl)butanamide
InChI:
InChI=1S/C19H27NO4/c1-23-16-11-10-15(18(12-16)24-2)13-20-19(22)9-5-7-14-6-3-4-8-17(14)21/h10-12,14H,3-9,13H2,1-2H3,(H,20,22)
InChI Key:
QYWMONLWAPZDRB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CNC(=O)CCCC1CCCCC1=O

Properties

Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.194g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.428g/mol
Monoisotopic Mass:
333.194g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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