Chemical ID: 5845584

CC(C)CCNC(=O)CCC(=O)NC1CCCCC1
Chemical ID:
5845584
Name [?]:
N'-cyclohexyl-N-isopentyl-butanediamide
SMILES [?]:
CC(C)CCNC(=O)CCC(=O)NC1CCCCC1
InChi [?]:
InChI=1/C15H28N2O2/c1-12(2)10-11-16-14(18)8-9-15(19)17-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,9,10,4,5,2,14,7,11,6,13,8,12/E:(1,2)(4,5)(6,7)/rA:19nCCCCCNCOCCCONCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H28N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.5572
Area:515.213
Solvation:-2.32313
Coulombic:-41.4111
Bond Count [?]
All:19
Single:17
Double:2
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:268.395
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.56
LogP (Chemaxon):1.51

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