Chemical ID: 4149700

Cc1cccc(c1OCC(=O)NCc2ccccc2)C
Chemical ID:
4149700
Name [?]:
N-benzyl-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)NCc2ccccc2)C
InChi [?]:
InChI=1/C17H19NO2/c1-13-7-6-8-14(2)17(13)20-12-16(19)18-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,17,16,18,4,3,5,15,19,13,9,2,6,14,10,7,12,11,8/E:(1,2)(4,5)(7,8)(9,10)(13,14)/rA:20nCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.75226
Area:491.519
Solvation:-3.53572
Coulombic:-31.1542
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):3.43

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