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Chemical ID: 5822062
Chemical ID:
5822062
Name [?]:
N-(2-ethoxyphenyl)adamantane-1-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H25NO2/c1-2-22-17-6-4-3-5-16(17)20-18(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,2,7-12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,16,19,21,18,14,22,17,15,20,9,4,11,13,10,12,3/E:(7,8,9)(10,11,12)(13,14,15)/rA:22nCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5922 |
Area: | 480.315 |
Solvation: | -2.41566 |
Coulombic: | -30.3964 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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