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Chemical ID: 5553151
Chemical ID:
5553151
Name [?]:
4-(4-acetylphenoxy)-N-(2-methoxy-5-methyl-phenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)CCCOc2ccc(cc2)C(=O)C)OC
InChi [?]:
InChI=1/C20H23NO4/c1-14-6-11-19(24-3)18(13-14)21-20(23)5-4-12-25-17-9-7-16(8-10-17)15(2)22/h6-11,13H,4-5,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,25,12,11,3,17,19,16,20,4,13,7,2,21,18,15,6,5,9,8,22,10,24,14/E:(7,8)(9,10)/rA:25nCCCCCCCNCOCCCOCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s5;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00872 |
Area: | 587.827 |
Solvation: | -5.68696 |
Coulombic: | -42.2955 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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