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Chemical ID: 7255161
Chemical ID:
7255161
Name [?]:
2-(3,4-dimethylphenyl)-N-(4-methylcyclohexyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)CC(=O)NC2CCC(CC2)C
InChi [?]:
InChI=1/C17H25NO/c1-12-4-8-16(9-5-12)18-17(19)11-15-7-6-13(2)14(3)10-15/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:19,1,8,15,17,3,4,14,18,6,9,16,2,7,5,13,10,12,11/E:(4,5)(8,9)/rA:19nCCCCCCCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO |
All Atoms: | 44 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87205 |
Area: | 478.113 |
Solvation: | -2.08078 |
Coulombic: | -22.0991 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 259.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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