Chemical ID: 4462149

COc1cccc(c1OCC(=O)Nc2ccccc2)CO
Chemical ID:
4462149
Name [?]:
2-[2-(hydroxymethyl)-6-methoxy-phenoxy]-N-phenyl-acetamide
SMILES [?]:
COc1cccc(c1OCC(=O)Nc2ccccc2)CO
InChi [?]:
InChI=1/C16H17NO4/c1-20-14-9-5-6-12(10-18)16(14)21-11-15(19)17-13-7-3-2-4-8-13/h2-9,18H,10-11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,5,6,15,19,4,20,10,7,14,3,11,8,13,21,12,2,9/E:(3,4)(7,8)/rA:21nCOCCCCCCOCCONCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s7;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.19842
Area:492.993
Solvation:-6.12639
Coulombic:-53.132
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.311
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.51
LogP (Chemaxon):2.09

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