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Chemical ID: 4169435
Chemical ID:
4169435
Name [?]:
N-(2,6-dimethylphenyl)-2-phenoxy-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccccc2)C
InChi [?]:
InChI=1/C16H17NO2/c1-12-7-6-8-13(2)16(12)17-15(18)11-19-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,16,15,17,4,3,5,14,18,11,2,6,13,9,7,8,10,12/E:(1,2)(4,5)(7,8)(9,10)(12,13)/rA:19nCCCCCCCNCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28401 |
Area: | 456.007 |
Solvation: | -4.11616 |
Coulombic: | -28.9634 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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