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Chemical ID: 4369287
Chemical ID:
4369287
Name [?]:
N-cyclooctyl-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)NC1CCCCCCC1
InChi [?]:
InChI=1/C14H27NO/c1-3-12(4-2)14(16)15-13-10-8-6-5-7-9-11-13/h12-13H,3-11H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,12,14,11,15,10,16,3,9,6,8,7/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:16nCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s14;s9s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H27NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14125 |
Area: | 419.82 |
Solvation: | -1.35426 |
Coulombic: | -22.9888 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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