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Chemical ID: 5495665
Chemical ID:
5495665
Name [?]:
N-[1-(1-adamantyl)ethyl]-2-ethoxy-pyridine-3-carboxamide
SMILES [?]:
CCOc1c(cccn1)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C20H28N2O2/c1-3-24-19-17(5-4-6-21-19)18(23)22-13(2)20-10-14-7-15(11-20)9-16(8-14)12-20/h4-6,13-16H,3,7-12H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,14,2,7,6,8,18,21,23,20,16,24,13,19,17,22,5,10,4,15,9,12,11,3/E:(7,8,9)(10,11,12)(14,15,16)/rA:24cCCOCCCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s5;d10;s10;s12;s13;s13;s15;s16;s17;s18;s15s19;s19;s21;s17s22;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.76966 |
Area: | 518.721 |
Solvation: | -3.19835 |
Coulombic: | -35.9456 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.39 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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