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Chemical ID: 4151877
Chemical ID:
4151877
Name [?]:
N-benzyl-2-(2,3-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)NCc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-13-7-6-10-16(14(13)2)20-12-17(19)18-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,18,17,19,4,3,16,20,5,14,10,2,7,15,6,11,13,12,9/E:(4,5)(8,9)/rA:20nCCCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55147 |
Area: | 493.739 |
Solvation: | -3.792 |
Coulombic: | -30.578 |
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: | 3.48 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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