ChemDB: Chemical Search
Download
Chemical ID: 5890284
Chemical ID:
5890284
Name [?]:
N-[3-(cyclohexylcarbamoyl)-4-(4-methyl-1-piperidyl)-phenyl]heptanamide
SMILES [?]:
CCCCCCC(=O)Nc1ccc(c(c1)C(=O)NC2CCCCC2)N3CCC(CC3)C
InChi [?]:
InChI=1/C26H41N3O2/c1-3-4-5-9-12-25(30)27-22-13-14-24(29-17-15-20(2)16-18-29)23(19-22)26(31)28-21-10-7-6-8-11-21/h13-14,19-21H,3-12,15-18H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,4,22,21,23,5,20,24,6,11,12,27,29,26,30,15,28,19,10,14,13,7,16,9,18,25,8,17/E:(7,8)(10,11)(15,16)(17,18)/rA:31nCCCCCCCONCCCCCCCONCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s19s23;s13;s25;s26;s27;s28;s25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H41N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0754 |
Area: | 711.458 |
Solvation: | -3.71109 |
Coulombic: | -48.7178 |
Bond Count [?]
All: | 33 |
Single: | 28 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 427.623 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.62 |
LogP (Chemaxon): | 5.38 |
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 |
---|