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Chemical ID: 5838396
Chemical ID:
5838396
Name [?]:
N-(3,4-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2cccc(c2)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C20H24N2O2/c1-13-9-10-17(11-14(13)2)21-18(23)15-7-6-8-16(12-15)22-19(24)20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,22,23,24,14,13,15,3,4,6,17,2,7,12,16,5,10,19,21,9,18,11,20/E:(3,4,5)/rA:24nCCCCCCCCNCOCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.791 |
Area: | 554.748 |
Solvation: | -3.07768 |
Coulombic: | -42.7062 |
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: | 3.87 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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