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Chemical ID: 4504104
Chemical ID:
4504104
Name [?]:
N-(3,4-dimethylphenyl)-2-(1-piperidyl)acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CN2CCCCC2
InChi [?]:
InChI=1/C15H22N2O/c1-12-6-7-14(10-13(12)2)16-15(18)11-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,8,16,15,17,3,4,14,18,6,12,2,7,5,10,9,13,11/E:(4,5)(8,9)/rA:18nCCCCCCCCNCOCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;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: | 8.50998 |
Area: | 445.813 |
Solvation: | -2.63534 |
Coulombic: | -25.4568 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 246.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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