Chemical ID: 5845681

c1cc(oc1)CNC(=O)CCC(=O)NC2CCCCC2
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

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Descriptor Annotations

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