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Chemical ID: 5845813
Chemical ID:
5845813
Name [?]:
N-(1-adamantyl)-4-oxo-4-(1-piperidyl)butanamide
SMILES [?]:
C1CCN(CC1)C(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H30N2O2/c22-17(4-5-18(23)21-6-2-1-3-7-21)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,9,3,5,17,20,22,19,15,23,18,16,21,11,7,14,13,4,12,8/E:(2,3)(6,7)(8,9,10)(11,12,13)(14,15,16)/rA:23nCCCNCCCOCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4817 |
Area: | 510.572 |
Solvation: | -2.28263 |
Coulombic: | -36.1376 |
Bond Count [?]
All: | 26 |
Single: | 24 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.75 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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