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Chemical ID: 7372593
Chemical ID:
7372593
Name [?]:
2-(2-benzylphenoxy)-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)COc2ccccc2Cc3ccccc3
InChi [?]:
InChI=1/C22H21NO3/c1-25-20-13-11-19(12-14-20)23-22(24)16-26-21-10-6-5-9-18(21)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,17,16,22,26,18,15,5,7,4,8,20,12,21,19,6,3,14,10,9,11,2,13/E:(3,4)(7,8)(11,12)(13,14)/rA:26nCOCCCCCCNCOCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO3 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00529 |
Area: | 571.491 |
Solvation: | -5.28198 |
Coulombic: | -37.5459 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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