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Chemical ID: 6158158
Chemical ID:
6158158
Name [?]:
3-(2-methylpropanoylamino)-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cccc(c2)NC(=O)C(C)C
InChi [?]:
InChI=1/C18H20N2O2/c1-12(2)17(21)20-16-6-4-5-14(11-16)18(22)19-15-9-7-13(3)8-10-15/h4-12H,1-3H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,13,12,14,3,7,4,6,16,20,2,11,5,15,18,9,8,17,19,10/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCNCOCCCCCCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80368 |
Area: | 517.132 |
Solvation: | -3.12461 |
Coulombic: | -42.3243 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.23 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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