ChemDB: Chemical Search
Download
Chemical ID: 3965448
Chemical ID:
3965448
Name [?]:
N-(2-hydroxyethyl)octadeca-9,12-dienamide
SMILES [?]:
CCCCCC=CCC=CCCCCCCCC(=O)NCCO
InChi [?]:
InChI=1/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,21,22,18,20,23,19/rA:23nCCCCCCCCCCCCCCCCCCONCCO/rB:s1;s2;s3;s4;s5;w6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H37NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5361 |
Area: | 665.345 |
Solvation: | -3.09749 |
Coulombic: | -41.7324 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 17 |
Chiral: | 2 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 323.513 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.82 |
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 |
---|