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247589-33-9 | Propanediamide, N1-hexadecyl-N3-2-naphthalenyl-
CAS No: 247589-33-9 Catalog No: AG002PCD MDL No:
Product Description
Catalog Number:
AG002PCD
Chemical Name:
Propanediamide, N1-hexadecyl-N3-2-naphthalenyl-
CAS Number:
247589-33-9
Molecular Formula:
C29H44N2O2
Molecular Weight:
452.6719
IUPAC Name:
N-hexadecyl-N'-naphthalen-2-ylpropanediamide
InChI:
InChI=1S/C29H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-30-28(32)24-29(33)31-27-21-20-25-18-15-16-19-26(25)23-27/h15-16,18-21,23H,2-14,17,22,24H2,1H3,(H,30,32)(H,31,33)
InChI Key:
AQCLPSVAQRRZMC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNC(=O)CC(=O)Nc1ccc2c(c1)cccc2
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.34g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.683g/mol
Monoisotopic Mass:
452.34g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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