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Chemical ID: 4516912
Chemical ID:
4516912
Name [?]:
N-[4-[2-[2-(4-acetamidophenoxy)ethoxy]ethoxy]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)OCCOCCOc2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C20H24N2O5/c1-15(23)21-17-3-7-19(8-4-17)26-13-11-25-12-14-27-20-9-5-18(6-10-20)22-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,6,10,20,22,7,9,19,23,13,15,12,16,2,25,5,21,8,18,4,24,3,26,14,11,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)/gE:(1,2)/rA:27nCCONCCCCCCOCCOCCOCCCCCCNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28183 |
Area: | 636.326 |
Solvation: | -8.62632 |
Coulombic: | -58.964 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.415 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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