Chemical ID: 5845545

CC1CCCC(C1C)NC(=O)CCC(=O)NCCC(C)C
Chemical ID:
5845545
Name [?]:
N-(2,3-dimethylcyclohexyl)-N'-isopentyl-butanediamide
SMILES [?]:
CC1CCCC(C1C)NC(=O)CCC(=O)NCCC(C)C
InChi [?]:
InChI=1/C17H32N2O2/c1-12(2)10-11-18-16(20)8-9-17(21)19-15-7-5-6-13(3)14(15)4/h12-15H,5-11H2,1-4H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:20,21,1,8,4,3,5,13,12,18,17,19,2,7,6,14,10,16,9,15,11/E:(1,2)/rA:21cCCCCCCCCNCOCCCONCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H32N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:11.3992
Area:548.499
Solvation:-2.31324
Coulombic:-42.0255
Bond Count [?]
All:21
Single:19
Double:2
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:296.448
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):2.24

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