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Chemical ID: 7376930
Chemical ID:
7376930
Name [?]:
N-(2-tert-butylphenyl)adamantane-1-carboxamide
SMILES [?]:
CC(C)(C)c1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C21H29NO/c1-20(2,3)17-6-4-5-7-18(17)22-19(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,8-13H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,6,9,17,20,22,19,15,23,18,16,21,5,10,12,2,14,11,13/E:(1,2,3)(8,9,10)(11,12,13)(14,15,16)/rA:23nCCCCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29NO |
All Atoms: | 52 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4791 |
Area: | 478.092 |
Solvation: | -1.47315 |
Coulombic: | -23.5509 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.84 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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