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Chemical ID: 5674975
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
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Experimental Annotations
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Descriptor Annotations
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