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Chemical ID: 5178084
Chemical ID:
5178084
Name [?]:
N-(4-benzylcyclohexyl)acetamide
SMILES [?]:
CC(=O)NC1CCC(CC1)Cc2ccccc2
InChi [?]:
InChI=1/C15H21NO/c1-12(17)16-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,7,9,6,10,11,2,12,8,5,4,3/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCONCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s8;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92515 |
Area: | 434.199 |
Solvation: | -1.92983 |
Coulombic: | -22.2264 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.49 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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