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Chemical ID: 4149841
Chemical ID:
4149841
Name [?]:
N-(3,4-dimethylphenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)COc2ccc(cc2)C(C)(C)c3ccccc3
InChi [?]:
InChI=1/C25H27NO2/c1-18-10-13-22(16-19(18)2)26-24(27)17-28-23-14-11-21(12-15-23)25(3,4)20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,8,21,22,26,25,27,24,28,3,16,18,4,15,19,6,12,2,7,23,17,5,14,10,20,9,11,13/E:(3,4)(6,7)(8,9)(11,12)(14,15)/rA:28nCCCCCCCCNCOCOCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2121 |
Area: | 622.127 |
Solvation: | -4.3411 |
Coulombic: | -31.2377 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.86 |
LogP (Chemaxon): | 6.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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