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Chemical ID: 4222446
Chemical ID:
4222446
Name [?]:
N'-cyclohexyl-N-isobutyl-oxamide
SMILES [?]:
CC(C)CNC(=O)C(=O)NC1CCCCC1
InChi [?]:
InChI=1/C12H22N2O2/c1-9(2)8-13-11(15)12(16)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,14,13,15,12,16,4,2,11,6,8,5,10,7,9/E:(1,2)(4,5)(6,7)/rA:16nCCCCNCOCONCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s8;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63986 |
Area: | 437.842 |
Solvation: | -1.30619 |
Coulombic: | -48.3476 |
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: | 1.8 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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