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Chemical ID: 5839507
Chemical ID:
5839507
Name [?]:
1-(2-acetamidoacetyl)amino-N-cyclohexyl-cyclohexane-1-carboxamide
SMILES [?]:
CC(=O)NCC(=O)NC1(CCCCC1)C(=O)NC2CCCCC2
InChi [?]:
InChI=1/C17H29N3O3/c1-13(21)18-12-15(22)20-17(10-6-3-7-11-17)16(23)19-14-8-4-2-5-9-14/h14H,2-12H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,12,20,22,11,13,19,23,10,14,5,2,18,6,15,9,4,17,8,3,7,16/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCONCCONCCCCCCCONCCCCCC/rB:s1;d2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s9;d15;s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69489 |
Area: | 536.434 |
Solvation: | -3.71597 |
Coulombic: | -62.8253 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 323.431 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.46 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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