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Chemical ID: 4770158
Chemical ID:
4770158
Name [?]:
N-(2,6-dimethylphenyl)-3-(1-piperidyl)propanamide
SMILES [?]:
Cc1cccc(c1NC(=O)CCN2CCCCC2)C
InChi [?]:
InChI=1/C16H24N2O/c1-13-7-6-8-14(2)16(13)17-15(19)9-12-18-10-4-3-5-11-18/h6-8H,3-5,9-12H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,16,15,17,4,3,5,11,14,18,12,2,6,9,7,8,13,10/E:(1,2)(4,5)(7,8)(10,11)(13,14)/rA:19nCCCCCCCNCOCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49524 |
Area: | 468.243 |
Solvation: | -2.21083 |
Coulombic: | -25.289 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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