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114916-05-1 | 2-Propenamide, 3-(4-hydroxyphenyl)-N-[3-[[4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino]propyl]-, (E,E)- (9CI)
CAS No: 114916-05-1 Catalog No: AG000FFO MDL No:MFCD17214795
Product Description
Catalog Number:
AG000FFO
Chemical Name:
2-Propenamide, 3-(4-hydroxyphenyl)-N-[3-[[4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino]propyl]-, (E,E)- (9CI)
CAS Number:
114916-05-1
Molecular Formula:
C25H31N3O4
Molecular Weight:
437.5313
MDL Number:
MFCD17214795
IUPAC Name:
(E)-3-(4-hydroxyphenyl)-N-[4-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
InChI:
InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/b14-8+,15-9+
InChI Key:
QYBCBMVQSCJMSA-VOMDNODZSA-N
SMILES:
O=C(/C=C/c1ccc(cc1)O)NCCCNCCCCNC(=O)/C=C/c1ccc(cc1)O
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
437.231g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
437.54g/mol
Monoisotopic Mass:
437.231g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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