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1138156-77-0 | 2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-[4-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]-
CAS No: 1138156-77-0 Catalog No: AG0009RU MDL No:MFCD20260951
Product Description
Catalog Number:
AG0009RU
Chemical Name:
2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-[4-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]-
CAS Number:
1138156-77-0
Molecular Formula:
C22H24N2O5
Molecular Weight:
396.4364
MDL Number:
MFCD20260951
IUPAC Name:
(E)-N-[4-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]butyl]-3-(4-hydroxyphenyl)prop-2-enamide
InChI:
InChI=1S/C22H24N2O5/c25-18-8-3-16(4-9-18)6-11-21(28)23-13-1-2-14-24-22(29)12-7-17-5-10-19(26)20(27)15-17/h3-12,15,25-27H,1-2,13-14H2,(H,23,28)(H,24,29)/b11-6+,12-7+
InChI Key:
NDUQQMKMMARZRU-GNXRPPCSSA-N
SMILES:
O=C(C=Cc1ccc(cc1)O)NCCCCNC(=O)C=Cc1ccc(c(c1)O)O
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
396.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
396.443g/mol
Monoisotopic Mass:
396.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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