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Chemical ID: 4341336
Chemical ID:
4341336
Name [?]:
N-(3-dimethylaminophenyl)adamantane-1-carboxamide
SMILES [?]:
CN(C)c1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H26N2O/c1-21(2)17-5-3-4-16(9-17)20-18(22)19-10-13-6-14(11-19)8-15(7-13)12-19/h3-5,9,13-15H,6-8,10-12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,16,19,21,9,18,14,22,17,15,20,8,4,11,13,10,2,12/E:(1,2)(6,7,8)(10,11,12)(13,14,15)/rA:22nCNCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94993 |
Area: | 481.237 |
Solvation: | -2.081 |
Coulombic: | -28.0519 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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