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Chemical ID: 6533266
Chemical ID:
6533266
Name [?]:
N-(4-ethoxyphenyl)-3,5-dimethyl-adamantane-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C
InChi [?]:
InChI=1/C21H29NO2/c1-4-24-17-7-5-16(6-8-17)22-18(23)21-11-15-9-19(2,13-21)12-20(3,10-15)14-21/h5-8,15H,4,9-14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,6,8,5,9,21,16,14,19,22,18,15,7,4,11,20,17,13,10,12,3/E:(2,3)(5,6)(7,8)(9,10)(13,14)(19,20)/rA:24cCCOCCCCCCNCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.3065 |
Area: | 521.532 |
Solvation: | -2.73184 |
Coulombic: | -29.6703 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.78 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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