ChemDB: Chemical Search
Download
Chemical ID: 6397121
Chemical ID:
6397121
Name [?]:
3-(2,2-dimethylpropanoylamino)-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cccc(c2)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C19H22N2O2/c1-13-8-10-15(11-9-13)20-17(22)14-6-5-7-16(12-14)21-18(23)19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,13,12,14,3,7,4,6,16,2,11,5,15,9,18,20,8,17,10,19/E:(2,3,4)(8,9)(10,11)/rA:23nCCCCCCCNCOCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.31 |
Area: | 534.567 |
Solvation: | -3.05414 |
Coulombic: | -42.9372 |
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: | 3.43 |
LogP (Chemaxon): | 4.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|