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Chemical ID: 5845681
Chemical ID:
5845681
Name [?]:
N'-cyclohexyl-N-(2-furylmethyl)butanediamide
SMILES [?]:
c1cc(oc1)CNC(=O)CCC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C15H22N2O3/c18-14(16-11-13-7-4-10-20-13)8-9-15(19)17-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:18,17,19,1,16,20,2,10,11,5,6,15,3,8,12,7,14,9,13,4/E:(2,3)(5,6)/rA:20nCCCOCCNCOCCCONCCCCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05602 |
Area: | 508.23 |
Solvation: | -3.64973 |
Coulombic: | -46.9309 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.11 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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