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Chemical ID: 6158163
Chemical ID:
6158163
Name [?]:
N-(2,6-dimethylphenyl)-3-(2-methylpropanoylamino)benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2cccc(c2)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C19H22N2O2/c1-12(2)18(22)20-16-10-6-9-15(11-16)19(23)21-17-13(3)7-5-8-14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:21,22,1,23,4,13,3,5,12,14,16,20,2,6,11,15,7,18,9,17,8,19,10/E:(1,2)(3,4)(7,8)(13,14)/rA:23nCCCCCCCNCOCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95744 |
Area: | 527.525 |
Solvation: | -3.23069 |
Coulombic: | -42.1339 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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