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Chemical ID: 5068503
Chemical ID:
5068503
Name [?]:
2-(4-benzyloxyphenoxy)-N-(2,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H23NO3/c1-17-8-13-22(18(2)14-17)24-23(25)16-27-21-11-9-20(10-12-21)26-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,26,23,27,3,16,18,15,19,4,7,21,12,2,6,22,17,14,5,10,9,11,20,13/E:(4,5)(6,7)(9,10)(11,12)/rA:27nCCCCCCCCNCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90116 |
Area: | 617.957 |
Solvation: | -5.54776 |
Coulombic: | -37.2635 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.96 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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