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Chemical ID: 4340964
Chemical ID:
4340964
Name [?]:
N-benzyl-3-(p-tolyl)adamantane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCc5ccccc5
InChi [?]:
InChI=1/C25H29NO/c1-18-7-9-22(10-8-18)24-12-20-11-21(13-24)15-25(14-20,17-24)23(27)26-16-19-5-3-2-4-6-19/h2-10,20-21H,11-17H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,3,7,4,6,11,9,13,16,14,21,17,2,22,10,12,5,18,8,15,20,19/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(20,21)/rA:27cCCCCCCCCCCCCCCCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s8s12;s12;s14;s10s15;s8s15;s15;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.317 |
Area: | 570.786 |
Solvation: | -1.95266 |
Coulombic: | -25.4703 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.1 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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