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Chemical ID: 4146298
Chemical ID:
4146298
Name [?]:
N-benzhydryl-2-(2,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NC(c2ccccc2)c3ccccc3)C
InChi [?]:
InChI=1/C23H23NO2/c1-17-13-14-18(2)21(15-17)26-16-22(25)24-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,23H,16H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,17,23,16,18,22,24,15,19,21,25,3,4,7,9,2,5,14,20,6,10,13,12,11,8/E:(3,4)(5,6,7,8)(9,10,11,12)(19,20)/rA:26nCCCCCCCOCCONCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s13;s20;d21;s22;d23;d20s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2847 |
Area: | 586.06 |
Solvation: | -4.36683 |
Coulombic: | -32.3738 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.06 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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