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Chemical ID: 4822176
Chemical ID:
4822176
Name [?]:
N-[1-(4-methoxyphenyl)ethyl]-2,2-diphenyl-acetamide
SMILES [?]:
CC(c1ccc(cc1)OC)NC(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C23H23NO2/c1-17(18-13-15-21(26-2)16-14-18)24-23(25)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,22H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,18,24,17,19,23,25,16,20,22,26,4,8,5,7,2,3,15,21,6,14,12,11,13,9/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:26cCCCCCCCCOCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s2;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s14;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6674 |
Area: | 574.186 |
Solvation: | -3.68725 |
Coulombic: | -32.6306 |
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): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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