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116584-30-6 | Dodecanamide, N-[2-[(1-methyl-3-oxo-1-buten-1-yl)amino]ethyl]-
CAS No: 116584-30-6 Catalog No: AG000CTM MDL No:
Product Description
Catalog Number:
AG000CTM
Chemical Name:
Dodecanamide, N-[2-[(1-methyl-3-oxo-1-buten-1-yl)amino]ethyl]-
CAS Number:
116584-30-6
Molecular Formula:
C19H36N2O2
Molecular Weight:
324.5013
IUPAC Name:
N-[2-(4-oxopent-2-en-2-ylamino)ethyl]dodecanamide
InChI:
InChI=1S/C19H36N2O2/c1-4-5-6-7-8-9-10-11-12-13-19(23)21-15-14-20-17(2)16-18(3)22/h16,20H,4-15H2,1-3H3,(H,21,23)
InChI Key:
AYTGQQUVCWTQGW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)NCCNC(=CC(=O)C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.278g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.509g/mol
Monoisotopic Mass:
324.278g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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