Chemical ID: 5240015

c1cc(ccc1CCc2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7
Chemical ID:
5240015
Name [?]:
N-[4-[2-[4-(1-adamantylcarbonylamino)phenyl]ethyl]phenyl]adamantane-1-carboxamide
SMILES [?]:
c1cc(ccc1CCc2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C36H44N2O2
All Atoms:40
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:16.3861
Area:780.037
Solvation:-3.11482
Coulombic:-44.7254
Bond Count [?]
All:47
Single:39
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:536.747
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:7.31
LogP (Chemaxon):8.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue