Chemical ID: 5524275

Cc1ccccc1OC(C)C(=O)NCCOC
Chemical ID:
5524275
Name [?]:
N-(2-methoxyethyl)-2-(2-methylphenoxy)-propanamide
SMILES [?]:
Cc1ccccc1OC(C)C(=O)NCCOC
InChi [?]:
InChI=1/C13H19NO3/c1-10-6-4-5-7-12(10)17-11(2)13(15)14-8-9-16-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,17,4,5,3,6,14,15,2,9,7,11,13,12,16,8/rA:17cCCCCCCCOCCCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.33419
Area:448.554
Solvation:-4.87966
Coulombic:-37.0558
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.67
LogP (Chemaxon):1.56

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