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Chemical ID: 4202651
Chemical ID:
4202651
Name [?]:
3-(3,5-dimethyl-1-piperidyl)-N-(o-tolyl)propanamide
SMILES [?]:
Cc1ccccc1NC(=O)CCN2CC(CC(C2)C)C
InChi [?]:
InChI=1/C17H26N2O/c1-13-10-14(2)12-19(11-13)9-8-17(20)18-16-7-5-4-6-15(16)3/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:19,20,1,4,5,3,6,11,12,16,18,14,17,15,2,7,9,8,13,10/E:(1,2)(11,12)(13,14)/rA:20cCCCCCCCNCOCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.3733 |
Area: | 495.757 |
Solvation: | -2.02067 |
Coulombic: | -26.2973 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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