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Chemical ID: 6388342
Chemical ID:
6388342
Name [?]:
N-cycloheptyl-2-ethyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)NC1CCCCCC1
InChi [?]:
InChI=1/C15H29NO/c1-3-5-10-13(4-2)15(17)16-14-11-8-6-7-9-12-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,14,15,13,16,4,12,17,5,11,8,10,9/E:(6,7)(8,9)(11,12)/rA:17cCCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H29NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1787 |
Area: | 460.931 |
Solvation: | -1.34461 |
Coulombic: | -23.2909 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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