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Chemical ID: 5495885
Chemical ID:
5495885
Name [?]:
N-(4-benzyloxyphenyl)-2-(2-methoxy-4-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OC)OCC(=O)Nc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H23NO4/c1-17-8-13-21(22(14-17)26-2)28-16-23(25)24-19-9-11-20(12-10-19)27-15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,9,26,25,27,24,28,3,16,20,17,19,4,7,22,11,2,23,15,18,5,6,12,14,13,8,21,10/E:(4,5)(6,7)(9,10)(11,12)/rA:28nCCCCCCCOCOCCONCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02676 |
Area: | 632.072 |
Solvation: | -7.77502 |
Coulombic: | -43.5342 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 377.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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