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Chemical ID: 5155044
Chemical ID:
5155044
Name [?]:
N-(o-tolyl)-3-(1-piperidyl)propanamide
SMILES [?]:
Cc1ccccc1NC(=O)CCN2CCCCC2
InChi [?]:
InChI=1/C15H22N2O/c1-13-7-3-4-8-14(13)16-15(18)9-12-17-10-5-2-6-11-17/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,16,4,5,15,17,3,6,11,14,18,12,2,7,9,8,13,10/E:(5,6)(10,11)/rA:18nCCCCCCCNCOCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25063 |
Area: | 452.157 |
Solvation: | -2.0533 |
Coulombic: | -25.6954 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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