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Chemical ID: 6378684
Chemical ID:
6378684
Name [?]:
N-(4-ethoxyphenyl)undecanamide
SMILES [?]:
CCCCCCCCCCC(=O)Nc1ccc(cc1)OCC
InChi [?]:
InChI=1/C19H31NO2/c1-3-5-6-7-8-9-10-11-12-19(21)20-17-13-15-18(16-14-17)22-4-2/h13-16H,3-12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,3,4,5,6,7,8,9,10,15,19,16,18,14,17,11,13,12,20/E:(13,14)(15,16)/rA:22nCCCCCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9407 |
Area: | 596.433 |
Solvation: | -2.97017 |
Coulombic: | -29.6356 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 305.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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