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88138-48-1 | Butanamide, N-[2-[4-[[6-(1H-imidazol-1-yl)hexyl]oxy]phenyl]ethyl]-
CAS No: 88138-48-1 Catalog No: AG008C36 MDL No:
Product Description
Catalog Number:
AG008C36
Chemical Name:
Butanamide, N-[2-[4-[[6-(1H-imidazol-1-yl)hexyl]oxy]phenyl]ethyl]-
CAS Number:
88138-48-1
Molecular Formula:
C21H31N3O2
Molecular Weight:
357.4897
IUPAC Name:
N-[2-[4-(6-imidazol-1-ylhexoxy)phenyl]ethyl]butanamide
InChI:
InChI=1S/C21H31N3O2/c1-2-7-21(25)23-13-12-19-8-10-20(11-9-19)26-17-6-4-3-5-15-24-16-14-22-18-24/h8-11,14,16,18H,2-7,12-13,15,17H2,1H3,(H,23,25)
InChI Key:
YQXXFYVEEWNJCM-UHFFFAOYSA-N
SMILES:
CCCC(=O)NCCc1ccc(cc1)OCCCCCCn1cncc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.242g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.498g/mol
Monoisotopic Mass:
357.242g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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