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Chemical ID: 5827836
Chemical ID:
5827836
Name [?]:
N-(2-acetyl-5-tert-butyl-phenyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)C)C(C)(C)C
InChi [?]:
InChI=1/C20H23NO2/c1-13-6-8-15(9-7-13)19(23)21-18-12-16(20(3,4)5)10-11-17(18)14(2)22/h6-12H,1-5H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,21,22,23,3,7,4,6,14,15,12,2,17,5,13,16,11,8,20,10,18,9/E:(3,4,5)(6,7)(8,9)/rA:23nCCCCCCCCONCCCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s13;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7228 |
Area: | 521.205 |
Solvation: | -2.30737 |
Coulombic: | -31.7245 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.52 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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