Chemical ID: 4414399

CC(C)CNC(=O)CCC1CCCCC1
Chemical ID:
4414399
Name [?]:
3-cyclohexyl-N-isobutyl-propanamide
SMILES [?]:
CC(C)CNC(=O)CCC1CCCCC1
InChi [?]:
InChI=1/C13H25NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,13,12,14,11,15,9,8,4,2,10,6,5,7/E:(1,2)(4,5)(6,7)/rA:15nCCCCNCOCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.29333
Area:430.846
Solvation:-1.47782
Coulombic:-22.2429
Bond Count [?]
All:15
Single:14
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:211.344
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.05
LogP (Chemaxon):2.86

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue