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Chemical ID: 5673719
Chemical ID:
5673719
Name [?]:
2-(4-methyl-1-piperidyl)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CN2CCC(CC2)C)C
InChi [?]:
InChI=1/C17H26N2O/c1-12-5-7-19(8-6-12)11-16(20)18-17-14(3)9-13(2)10-15(17)4/h9-10,12H,5-8,11H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:19,1,8,20,15,17,14,18,7,3,12,16,2,6,4,10,5,9,13,11/E:(3,4)(5,6)(7,8)(9,10)(14,15)/rA:20nCCCCCCCCNCOCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37686 |
Area: | 482.554 |
Solvation: | -2.68699 |
Coulombic: | -25.512 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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