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Chemical ID: 4084419
Chemical ID:
4084419
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-tert-butyl-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2ccc(cc2)C(C)(C)C)C
InChi [?]:
InChI=1/C20H25NO/c1-6-15-9-7-8-14(2)18(15)21-19(22)16-10-12-17(13-11-16)20(3,4)5/h7-13H,6H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,19,20,21,2,5,6,4,13,17,14,16,7,3,12,15,8,10,18,9,11/E:(3,4,5)(10,11)(12,13)/rA:22nCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9994 |
Area: | 510.24 |
Solvation: | -1.75659 |
Coulombic: | -24.5906 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.73 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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