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Chemical ID: 6338937
Chemical ID:
6338937
Name [?]:
N-(1-adamantylmethyl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)NCC12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C15H25NO/c1-10(2)14(17)16-9-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13H,3-9H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,11,14,16,13,9,17,7,2,12,10,15,4,8,6,5/E:(1,2)(3,4,5)(6,7,8)(11,12,13)/rA:17nCCCCONCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;s8s12;s12;s14;s10s15;s8s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8264 |
Area: | 408.848 |
Solvation: | -1.39479 |
Coulombic: | -22.163 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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