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Chemical ID: 5642519
Chemical ID:
5642519
Name [?]:
N-(3-methoxyphenyl)adamantane-1-carboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H23NO2/c1-21-16-4-2-3-15(8-16)19-17(20)18-9-12-5-13(10-18)7-14(6-12)11-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,15,18,20,8,17,13,21,16,14,19,7,3,10,12,9,11,2/E:(5,6,7)(9,10,11)(12,13,14)/rA:21nCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60077 |
Area: | 456.72 |
Solvation: | -2.81723 |
Coulombic: | -29.0736 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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