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Chemical ID: 6525243
Chemical ID:
6525243
Name [?]:
N-(12-benzamidododecyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NCCCCCCCCCCCCNC(=O)c2ccccc2
InChi [?]:
InChI=1/C26H36N2O2/c29-25(23-17-11-9-12-18-23)27-21-15-7-5-3-1-2-4-6-8-16-22-28-26(30)24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:15,16,14,17,13,18,12,19,1,28,2,6,27,29,11,20,3,5,26,30,10,21,4,25,7,23,9,22,8,24/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)/gE:(1,2)/rA:30nCCCCCCCONCCCCCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.3524 |
Area: | 768.379 |
Solvation: | -2.85709 |
Coulombic: | -49.1895 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 408.576 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 7.49 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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