Chemical ID: 3965450

CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
Chemical ID:
3965450
Name [?]:
N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
SMILES [?]:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
InChi [?]:
InChI=1/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,23,24,20,22,25,21/rA:25nCCCCCCCCCCCCCCCCCCCCONCCO/rB:s1;s2;s3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;w15;s16;s17;s18;s19;d20;s20;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H37NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:14.4063
Area:708.958
Solvation:-3.31765
Coulombic:-43.3113
Bond Count [?]
All:24
Single:19
Double:5
Rotors:17
Chiral:4
Rigid Segments:10
Chemical Properties
Molecular Weight:347.535
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):5.1

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