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Chemical ID: 4149700
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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