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Chemical ID: 7517340
Chemical ID:
7517340
Name [?]:
N-[1-adamantyl-(p-tolylcarbamoyl)methyl]cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(C23CC4CC(C2)CC(C4)C3)NC(=O)C5CCCCC5
InChi [?]:
InChI=1/C26H36N2O2/c1-17-7-9-22(10-8-17)27-25(30)23(28-24(29)21-5-3-2-4-6-21)26-14-18-11-19(15-26)13-20(12-18)16-26/h7-10,18-21,23H,2-6,11-16H2,1H3,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,26,30,3,7,4,6,15,18,20,17,13,21,2,16,14,19,25,5,11,23,9,12,8,22,24,10/E:(3,4)(5,6)(7,8)(9,10)(11,12,13)(14,15,16)(18,19,20)/rA:30cCCCCCCCNCOCCCCCCCCCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s11;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2O2 |
All Atoms: | 66 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.8419 |
Area: | 605.91 |
Solvation: | -2.30582 |
Coulombic: | -44.7127 |
Bond Count [?]
All: | 34 |
Single: | 29 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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