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88138-03-8

88138-03-8 | Propanamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-2-methyl-

CAS No: 88138-03-8 Catalog No: AG004FBM MDL No:

Product Description

Catalog Number:
AG004FBM
Chemical Name:
Propanamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-2-methyl-
CAS Number:
88138-03-8
Molecular Formula:
C18H25N3O2
Molecular Weight:
315.4100
IUPAC Name:
N-[4-(5-imidazol-1-ylpentoxy)phenyl]-2-methylpropanamide
InChI:
InChI=1S/C18H25N3O2/c1-15(2)18(22)20-16-6-8-17(9-7-16)23-13-5-3-4-11-21-12-10-19-14-21/h6-10,12,14-15H,3-5,11,13H2,1-2H3,(H,20,22)
InChI Key:
LXVHHTNGDIUUCB-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccc(cc1)OCCCCCn1cncc1

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.195g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.417g/mol
Monoisotopic Mass:
315.195g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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