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83239-12-7 | 3-Pyridinecarboxamide, N-dodecyl-1,4-dihydro-1-(phenylmethyl)-
CAS No: 83239-12-7 Catalog No: AG004U9J MDL No:
Product Description
Catalog Number:
AG004U9J
Chemical Name:
3-Pyridinecarboxamide, N-dodecyl-1,4-dihydro-1-(phenylmethyl)-
CAS Number:
83239-12-7
Molecular Formula:
C25H38N2O
Molecular Weight:
382.5820
IUPAC Name:
1-benzyl-N-dodecyl-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C25H38N2O/c1-2-3-4-5-6-7-8-9-10-14-19-26-25(28)24-18-15-20-27(22-24)21-23-16-12-11-13-17-23/h11-13,15-17,20,22H,2-10,14,18-19,21H2,1H3,(H,26,28)
InChI Key:
CCAHGEVRIAIQGQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)C1=CN(C=CC1)Cc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.592g/mol
Monoisotopic Mass:
382.298g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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