Chemical ID: 4242146

Cc1ccc(cc1)OCCNC(=O)C2CCCCC2
Chemical ID:
4242146
Name [?]:
N-[2-(4-methylphenoxy)ethyl]cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(cc1)OCCNC(=O)C2CCCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-13-7-9-15(10-8-13)19-12-11-17-16(18)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,7,4,6,10,9,2,14,5,12,11,13,8/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCOCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.09997
Area:481.097
Solvation:-2.92745
Coulombic:-29.7396
Bond Count [?]
All:20
Single:16
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.359
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.17

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