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Chemical ID: 6307289
Chemical ID:
6307289
Name [?]:
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide
SMILES [?]:
Cn1cc(cn1)CN(C)C(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H25N3O/c1-19(10-15-9-18-20(2)11-15)16(21)17-6-12-3-13(7-17)5-14(4-12)8-17/h9,11-14H,3-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:9,1,15,18,20,17,13,21,5,7,3,16,14,19,4,10,12,6,8,2,11/E:(3,4,5)(6,7,8)(12,13,14)/rA:21nCNCCCNCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;s8;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61528 |
Area: | 455.349 |
Solvation: | -2.76845 |
Coulombic: | -20.1897 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.4 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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