Chemical ID: 5674975

CCCCCCCCCCNC(=O)c1c(c2c(nc1O)CCCC2)O
Chemical ID:
5674975
Name [?]:
N-decyl-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILES [?]:
CCCCCCCCCCNC(=O)c1c(c2c(nc1O)CCCC2)O
InChi [?]:
InChI=1/C20H32N2O3/c1-2-3-4-5-6-7-8-11-14-21-19(24)17-18(23)15-12-9-10-13-16(15)22-20(17)25/h2-14H2,1H3,(H,21,24)(H2,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,23,22,9,24,21,10,16,17,14,15,12,19,11,18,25,13,20/rA:25nCCCCCCCCCCNCOCCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s17;s21;s22;s16s23;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H32N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.5547
Area:628.625
Solvation:-3.16088
Coulombic:-61.2791
Bond Count [?]
All:26
Single:22
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.48
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:6.42
LogP (Chemaxon):5.81

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