Chemical ID: 6447186

Cc1ccc(cc1)NC(=O)COc2ccccc2CO
Chemical ID:
6447186
Name [?]:
2-[2-(hydroxymethyl)phenoxy]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2ccccc2CO
InChi [?]:
InChI=1/C16H17NO3/c1-12-6-8-14(9-7-12)17-16(19)11-20-15-5-3-2-4-13(15)10-18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,3,7,4,6,19,11,2,18,5,13,9,8,20,10,12/E:(6,7)(8,9)/rA:20nCCCCCCCNCOCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.42512
Area:480.771
Solvation:-4.59416
Coulombic:-46.0907
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.311
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):2.81

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