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88138-02-7 | Propanamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS No: 88138-02-7 Catalog No: AG004H56 MDL No:
Product Description
Catalog Number:
AG004H56
Chemical Name:
Propanamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS Number:
88138-02-7
Molecular Formula:
C17H23N3O2
Molecular Weight:
301.3834
IUPAC Name:
N-[4-(5-imidazol-1-ylpentoxy)phenyl]propanamide
InChI:
InChI=1S/C17H23N3O2/c1-2-17(21)19-15-6-8-16(9-7-15)22-13-5-3-4-11-20-12-10-18-14-20/h6-10,12,14H,2-5,11,13H2,1H3,(H,19,21)
InChI Key:
QOPMBBPWOVQSQC-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc(cc1)OCCCCCn1cncc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.39g/mol
Monoisotopic Mass:
301.179g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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