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Chemical ID: 4411776
Chemical ID:
4411776
Name [?]:
3-cyclohexyl-N-tert-butyl-propanamide
SMILES [?]:
CC(C)(C)NC(=O)CCC1CCCCC1
InChi [?]:
InChI=1/C13H25NO/c1-13(2,3)14-12(15)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,14,11,15,9,8,10,6,2,5,7/E:(1,2,3)(5,6)(7,8)/rA:15nCCCCNCOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02137 |
Area: | 413.365 |
Solvation: | -1.31275 |
Coulombic: | -21.7165 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.28 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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