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139266-27-6 | 3-Pyridinecarboxamide, 1,4-dihydro-1-octyl-N-(2-phenylethyl)-
CAS No: 139266-27-6 Catalog No: AG001AM4 MDL No:
Product Description
Catalog Number:
AG001AM4
Chemical Name:
3-Pyridinecarboxamide, 1,4-dihydro-1-octyl-N-(2-phenylethyl)-
CAS Number:
139266-27-6
Molecular Formula:
C22H32N2O
Molecular Weight:
340.5023
IUPAC Name:
1-octyl-N-(2-phenylethyl)-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C22H32N2O/c1-2-3-4-5-6-10-17-24-18-11-14-21(19-24)22(25)23-16-15-20-12-8-7-9-13-20/h7-9,11-13,18-19H,2-6,10,14-17H2,1H3,(H,23,25)
InChI Key:
FSGJWFSWGCDOHD-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1C=CCC(=C1)C(=O)NCCc1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.251g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.511g/mol
Monoisotopic Mass:
340.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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