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Chemical ID: 5320082
Chemical ID:
5320082
Name [?]:
N-[2-methyl-1-(p-tolylcarbamoyl)propyl]adamantane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C23H32N2O2/c1-14(2)20(21(26)24-19-6-4-15(3)5-7-19)25-22(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,14,16-18,20H,8-13H2,1-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:13,14,1,3,7,4,6,21,24,26,23,19,27,12,2,22,20,25,5,11,9,16,18,8,15,10,17/E:(1,2)(4,5)(6,7)(8,9,10)(11,12,13)(16,17,18)/rA:27cCCCCCCCNCOCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s12;s11;s15;d16;s16;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9885 |
Area: | 569.097 |
Solvation: | -2.23895 |
Coulombic: | -44.5608 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.512 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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