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Chemical ID: 6546856
Chemical ID:
6546856
Name [?]:
2-[4-(3-methylphenoxy)phenoxy]-N-phenyl-acetamide
SMILES [?]:
Cc1cccc(c1)Oc2ccc(cc2)OCC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C21H19NO3/c1-16-6-5-9-20(14-16)25-19-12-10-18(11-13-19)24-15-21(23)22-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,4,3,21,25,5,11,13,10,14,7,16,2,20,12,9,6,17,19,18,15,8/E:(3,4)(7,8)(10,11)(12,13)/rA:25nCCCCCCCOCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0978 |
Area: | 561.779 |
Solvation: | -4.94666 |
Coulombic: | -37.1491 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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