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Chemical ID: 7025122
Chemical ID:
7025122
Name [?]:
N,N-dibenzyl-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)N(Cc2ccccc2)Cc3ccccc3
InChi [?]:
InChI=1/C23H23NO2/c1-19-10-8-9-15-22(19)26-18-23(25)24(16-20-11-4-2-5-12-20)17-21-13-6-3-7-14-21/h2-15H,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,24,16,18,23,25,4,5,3,15,19,22,26,6,13,20,9,2,14,21,7,10,12,11,8/E:(2,3)(4,5,6,7)(11,12,13,14)(16,17)(20,21)/rA:26nCCCCCCCOCCONCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO2 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0821 |
Area: | 574.29 |
Solvation: | -4.2752 |
Coulombic: | -27.8787 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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