ChemDB: Chemical Search
Download
Chemical ID: 4409833
Chemical ID:
4409833
Name [?]:
4-butoxy-N-(2-ethyl-6-methyl-phenyl)-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2c(cccc2CC)C
InChi [?]:
InChI=1/C20H25NO2/c1-4-6-14-23-18-12-10-17(11-13-18)20(22)21-19-15(3)8-7-9-16(19)5-2/h7-13H,4-6,14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,2,21,3,18,17,19,8,10,7,11,4,16,20,9,6,15,12,14,13,5/E:(10,11)(12,13)/rA:23nCCCCOCCCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8043 |
Area: | 550.959 |
Solvation: | -2.96964 |
Coulombic: | -31.0511 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.17 |
LogP (Chemaxon): | 4.09 |
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 |
---|