ChemDB: Chemical Search
Download
Chemical ID: 3905734
Chemical ID:
3905734
Name [?]:
N-(4-amino-2-methyl-phenyl)-2-(4-methyl-1-piperidyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CN2CCC(CC2)C)N
InChi [?]:
InChI=1/C15H23N3O/c1-11-5-7-18(8-6-11)10-15(19)17-14-4-3-13(16)9-12(14)2/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:18,1,5,6,14,16,13,17,3,11,15,2,4,7,9,19,8,12,10/E:(5,6)(7,8)/rA:19nCCCCCCCNCOCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77395 |
Area: | 463.433 |
Solvation: | -2.81189 |
Coulombic: | -41.5593 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.363 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.16 |
LogP (Chemaxon): | 1.33 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|