ChemDB: Chemical Search
Download
Chemical ID: 7481347
Chemical ID:
7481347
Name [?]:
4-pentoxy-N-(p-tolyl)benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C19H23NO2/c1-3-4-5-14-22-18-12-8-16(9-13-18)19(21)20-17-10-6-15(2)7-11-17/h6-13H,3-5,14H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,4,18,20,9,11,17,21,8,12,5,19,10,16,7,13,15,14,6/E:(6,7)(8,9)(10,11)(12,13)/rA:22nCCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6943 |
Area: | 546.37 |
Solvation: | -2.96495 |
Coulombic: | -31.1245 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.92 |
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 |
---|