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Chemical ID: 6669163
Chemical ID:
6669163
Name [?]:
N,N'-bis(2-ethoxyphenyl)decanediamide
SMILES [?]:
CCOc1ccccc1NC(=O)CCCCCCCCC(=O)Nc2ccccc2OCC
InChi [?]:
InChI=1/C26H36N2O4/c1-3-31-23-17-13-11-15-21(23)27-25(29)19-9-7-5-6-8-10-20-26(30)28-22-16-12-14-18-24(22)32-4-2/h11-18H,3-10,19-20H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,2,31,16,17,15,18,14,19,7,26,6,27,8,25,5,28,13,20,9,24,4,29,11,21,10,23,12,22,3,30/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:32nCCOCCCCCCNCOCCCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9501 |
Area: | 766.751 |
Solvation: | -5.21871 |
Coulombic: | -57.7106 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 440.575 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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