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Chemical ID: 3885478
Chemical ID:
3885478
Name [?]:
N-(2-aminophenyl)-2-(4-methyl-1-piperidyl)-acetamide
SMILES [?]:
CC1CCN(CC1)CC(=O)Nc2ccccc2N
InChi [?]:
InChI=1/C14H21N3O/c1-11-6-8-17(9-7-11)10-14(18)16-13-5-3-2-4-12(13)15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,3,7,4,6,8,2,17,12,9,18,11,5,10/E:(6,7)(8,9)/rA:18nCCCCNCCCCONCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24672 |
Area: | 441.301 |
Solvation: | -2.7858 |
Coulombic: | -42.3403 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.336 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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