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Chemical ID: 4149132
Chemical ID:
4149132
Name [?]:
N-cyclododecyl-2-(4-phenylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OCC(=O)NC3CCCCCCCCCCC3
InChi [?]:
InChI=1/C26H35NO2/c28-26(27-24-15-11-6-4-2-1-3-5-7-12-16-24)21-29-25-19-17-23(18-20-25)22-13-9-8-10-14-22/h8-10,13-14,17-20,24H,1-7,11-12,15-16,21H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:24,23,25,22,26,21,27,1,2,6,20,28,3,5,19,29,8,12,9,11,14,4,7,18,10,15,17,16,13/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:29nCCCCCCCCCCCCOCCONCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35NO2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8411 |
Area: | 631.596 |
Solvation: | -3.94884 |
Coulombic: | -32.9015 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.562 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 8.29 |
LogP (Chemaxon): | 6.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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