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Chemical ID: 5177698
Chemical ID:
5177698
Name [?]:
N-[[4-(acetamidomethyl)cyclohexyl]methyl]acetamide
SMILES [?]:
CC(=O)NCC1CCC(CC1)CNC(=O)C
InChi [?]:
InChI=1/C12H22N2O2/c1-9(15)13-7-11-3-5-12(6-4-11)8-14-10(2)16/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,16,7,11,8,10,5,12,2,14,6,9,4,13,3,15/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16nCCONCCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s6s10;s9;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99872 |
Area: | 443.091 |
Solvation: | -3.07855 |
Coulombic: | -39.6219 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 226.315 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.9 |
LogP (Chemaxon): | -0.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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