Chemical ID: 5495665

CCOc1c(cccn1)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3
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

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Descriptor Annotations

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