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Chemical ID: 5248052
Chemical ID:
5248052
Name [?]:
N,N'-dicyclohexyldecanediamide
SMILES [?]:
C1CCC(CC1)NC(=O)CCCCCCCCC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C22H40N2O2/c25-21(23-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(26)24-20-15-9-6-10-16-20/h19-20H,1-18H2,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:13,14,12,15,1,24,2,6,23,25,11,16,3,5,22,26,10,17,4,21,8,18,7,20,9,19/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)/gE:(1,2)/rA:26nCCCCCCNCOCCCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H40N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7967 |
Area: | 663.747 |
Solvation: | -2.79702 |
Coulombic: | -42.9301 |
Bond Count [?]
All: | 27 |
Single: | 25 |
Double: | 2 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 364.565 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.52 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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