Chemical ID: 5484274

CC(C)(C)NC(=O)COc1ccc(cc1)C#N
Chemical ID:
5484274
Name [?]:
2-(4-cyanophenoxy)-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)COc1ccc(cc1)C#N
InChi [?]:
InChI=1/C13H16N2O2/c1-13(2,3)15-12(16)9-17-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,14,11,15,16,8,13,10,6,2,17,5,7,9/E:(1,2,3)(4,5)(6,7)/rA:17nCCCCNCOCOCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.05917
Area:443.001
Solvation:-4.01586
Coulombic:-31.5094
Bond Count [?]
All:17
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.278
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):1.37

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