ChemDB: Chemical Search
Download
Chemical ID: 7479875
Chemical ID:
7479875
Name [?]:
4-hexoxy-N-(p-tolyl)benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C20H25NO2/c1-3-4-5-6-15-23-19-13-9-17(10-14-19)20(22)21-18-11-7-16(2)8-12-18/h7-14H,3-6,15H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,4,5,19,21,10,12,18,22,9,13,6,20,11,17,8,14,16,15,7/E:(7,8)(9,10)(11,12)(13,14)/rA:23nCCCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 48 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3105 |
Area: | 570.984 |
Solvation: | -2.96416 |
Coulombic: | -31.4251 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.83 |
LogP (Chemaxon): | 5.32 |
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 |
---|