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Chemical ID: 5157708
Chemical ID:
5157708
Name [?]:
N,N'-dibutylcyclohexane-1,3-dicarboxamide
SMILES [?]:
CCCCNC(=O)C1CCCC(C1)C(=O)NCCCC
InChi [?]:
InChI=1/C16H30N2O2/c1-3-5-10-17-15(19)13-8-7-9-14(12-13)16(20)18-11-6-4-2/h13-14H,3-12H2,1-2H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,19,3,18,10,9,11,4,17,13,8,12,6,14,5,16,7,15/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)/gE:(1,2)/rA:20cCCCCNCOCCCCCCCONCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H30N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.7306 |
Area: | 541.096 |
Solvation: | -2.79679 |
Coulombic: | -42.2897 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 282.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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