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Chemical ID: 6990381
Chemical ID:
6990381
Name [?]:
2-(3,5-dimethylphenoxy)-N-[6-[2-(3,5-dimethylphenoxy)acetyl]aminohexyl]acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)NCCCCCCNC(=O)COc2cc(cc(c2)C)C)C
InChi [?]:
InChI=1/C26H36N2O4/c1-19-11-20(2)14-23(13-19)31-17-25(29)27-9-7-5-6-8-10-28-26(30)18-32-24-15-21(3)12-22(4)16-24/h11-16H,5-10,17-18H2,1-4H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,30,31,15,16,14,17,13,18,3,27,7,5,29,25,9,22,2,4,28,26,6,24,10,20,12,19,11,21,8,23/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)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:32nCCCCCCCOCCONCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s28;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2O4 |
All Atoms: | 68 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.321 |
Area: | 780.219 |
Solvation: | -7.18443 |
Coulombic: | -57.6399 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 440.575 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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