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Chemical ID: 7512341
Chemical ID:
7512341
Name [?]:
N-(2,6-dimethylphenyl)-2-(2-hydroxyphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccccc2O)C
InChi [?]:
InChI=1/C16H17NO3/c1-11-6-5-7-12(2)16(11)17-15(19)10-20-14-9-4-3-8-13(14)18/h3-9,18H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,16,15,4,3,5,17,14,11,2,6,18,13,9,7,8,19,10,12/E:(1,2)(6,7)(11,12)/rA:20nCCCCCCCNCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.2415 |
Area: | 470.045 |
Solvation: | -5.50963 |
Coulombic: | -44.141 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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