ChemDB: Chemical Search
Download
Chemical ID: 6947013
Chemical ID:
6947013
Name [?]:
N-(3-methoxy-4-pentanoylamino-phenyl)hexanamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(c(c1)OC)NC(=O)CCCC
InChi [?]:
InChI=1/C18H28N2O3/c1-4-6-8-10-17(21)19-14-11-12-15(16(13-14)23-3)20-18(22)9-7-5-2/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,16,2,22,3,21,4,20,5,10,11,14,9,12,13,6,18,8,17,7,19,15/rA:23nCCCCCCONCCCCCCOCNCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;d18;s18;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O3 |
All Atoms: | 51 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6349 |
Area: | 587.649 |
Solvation: | -4.0563 |
Coulombic: | -47.7794 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 320.427 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.68 |
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 |
---|