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Home > Indoles and Oxindole > 199875-71-3
199875-71-3 | 5,8,11,14,17-Eicosapentaenamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-, (5Z,8Z,11Z,14Z,17Z)-
CAS No: 199875-71-3 Catalog No: AG002CEY MDL No:MFCD18428062
Product Description
Catalog Number:
AG002CEY
Chemical Name:
5,8,11,14,17-Eicosapentaenamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-, (5Z,8Z,11Z,14Z,17Z)-
CAS Number:
199875-71-3
Molecular Formula:
C30H40N2O2
Molecular Weight:
460.6508
MDL Number:
MFCD18428062
IUPAC Name:
(5Z,8Z,11Z,14Z,17Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
InChI:
InChI=1S/C30H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h3-4,6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2,5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChI Key:
RYPAMQYLBIIZHL-JLNKQSITSA-N
SMILES:
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1c[nH]c2c1cc(O)cc2
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
5
Exact Mass:
460.309g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
460.662g/mol
Monoisotopic Mass:
460.309g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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