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Chemical ID: 6158196
Chemical ID:
6158196
Name [?]:
3-(2-methylpropanoylamino)-N-(2,4,6-trimethylphenyl)-benzamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)c2cccc(c2)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C20H24N2O2/c1-12(2)19(23)21-17-8-6-7-16(11-17)20(24)22-18-14(4)9-13(3)10-15(18)5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:22,23,1,8,24,14,13,15,7,3,17,21,2,6,4,12,16,5,19,10,18,9,20,11/E:(1,2)(4,5)(9,10)(14,15)/rA:24nCCCCCCCCNCOCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5872 |
Area: | 550.341 |
Solvation: | -3.17128 |
Coulombic: | -41.9292 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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