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Chemical ID: 6962416
Chemical ID:
6962416
Name [?]:
N,N'-bis(2,4-dimethylphenyl)nonanediamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CCCCCCCC(=O)Nc2ccc(cc2C)C
InChi [?]:
InChI=1/C25H34N2O2/c1-18-12-14-22(20(3)16-18)26-24(28)10-8-6-5-7-9-11-25(29)27-23-15-13-19(2)17-21(23)4/h12-17H,5-11H2,1-4H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,8,28,15,14,16,13,17,12,18,3,24,4,23,7,26,2,25,6,27,5,22,10,19,9,21,11,20/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCCNCOCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N2O2 |
All Atoms: | 63 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9948 |
Area: | 701.692 |
Solvation: | -3.54748 |
Coulombic: | -41.3465 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 394.55 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.75 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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