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Chemical ID: 6400955
Chemical ID:
6400955
Name [?]:
N,N'-bis(1-naphthyl)dodecanediamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)CCCCCCCCCCC(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C32H36N2O2/c35-31(33-29-21-13-17-25-15-9-11-19-27(25)29)23-7-5-3-1-2-4-6-8-24-32(36)34-30-22-14-18-26-16-10-12-20-28(26)30/h9-22H,1-8,23-24H2,(H,33,35)(H,34,36)
InChi Info:
AuxInfo=1/1/N:18,19,17,20,16,21,15,22,1,35,2,34,8,29,6,36,7,30,3,33,9,28,14,23,5,31,4,32,10,27,12,24,11,26,13,25/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)(33,34)(35,36)/gE:(1,2)/rA:36nCCCCCCCCCCNCOCCCCCCCCCCCONCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H36N2O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.3953 |
Area: | 809.203 |
Solvation: | -3.83483 |
Coulombic: | -44.9265 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.641 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 8.66 |
LogP (Chemaxon): | 7.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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