Chemical ID: 3965448

CCCCCC=CCC=CCCCCCCCC(=O)NCCO
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue