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Chemical ID: 4293437
Chemical ID:
4293437
Name [?]:
N-(o-tolyl)-2-phenoxy-acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C15H15NO2/c1-12-7-5-6-10-14(12)16-15(17)11-18-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,4,5,3,14,18,6,11,2,13,7,9,8,10,12/E:(3,4)(8,9)/rA:18nCCCCCCCNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.06094 |
Area: | 439.859 |
Solvation: | -3.93553 |
Coulombic: | -29.4073 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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