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86583-01-9 | N-[2-(adamantane-1-carbonylamino)ethyl]adamantane-1-carboxamide
CAS No: 86583-01-9 Catalog No: AG004LEU MDL No:
Product Description
Catalog Number:
AG004LEU
Chemical Name:
N-[2-(adamantane-1-carbonylamino)ethyl]adamantane-1-carboxamide
CAS Number:
86583-01-9
Molecular Formula:
C24H36N2O2
Molecular Weight:
384.5548
IUPAC Name:
N-[2-(adamantane-1-carbonylamino)ethyl]adamantane-1-carboxamide
InChI:
InChI=1S/C24H36N2O2/c27-21(23-9-15-3-16(10-23)5-17(4-15)11-23)25-1-2-26-22(28)24-12-18-6-19(13-24)8-20(7-18)14-24/h15-20H,1-14H2,(H,25,27)(H,26,28)
InChI Key:
BIIGZDKFYWJWPV-UHFFFAOYSA-N
SMILES:
O=C(C12CC3CC(C2)CC(C1)C3)NCCNC(=O)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.278g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.564g/mol
Monoisotopic Mass:
384.278g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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