ChemDB: Chemical Search
Download
Chemical ID: 5506183
Chemical ID:
5506183
Name [?]:
N,N-dicyclohexyl-2-[methyl-(1-methyl-4-piperidyl)-amino]-acetamide
SMILES [?]:
CN1CCC(CC1)N(C)CC(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C21H39N3O/c1-22-15-13-18(14-16-22)23(2)17-21(25)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h18-20H,3-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,17,23,16,18,22,24,15,19,21,25,4,6,3,7,10,5,14,20,11,2,8,13,12/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:25cCNCCCCCNCCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s13;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H39N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0391 |
Area: | 557.351 |
Solvation: | -2.89465 |
Coulombic: | -26.8863 |
Bond Count [?]
All: | 27 |
Single: | 26 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.554 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.47 |
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 |
---|