ChemDB: Chemical Search
Download
Chemical ID: 6636926
Chemical ID:
6636926
Name [?]:
N-(4-pentylphenyl)-2-phenoxy-acetamide
SMILES [?]:
CCCCCc1ccc(cc1)NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C19H23NO2/c1-2-3-5-8-16-11-13-17(14-12-16)20-19(21)15-22-18-9-6-4-7-10-18/h4,6-7,9-14H,2-3,5,8,15H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,20,4,19,21,5,18,22,7,11,8,10,15,6,9,17,13,12,14,16/E:(6,7)(9,10)(11,12)(13,14)/rA:22nCCCCCCCCCCCNCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81498 |
Area: | 550.813 |
Solvation: | -3.95534 |
Coulombic: | -30.5376 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.28 |
LogP (Chemaxon): | 4.93 |
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 |
---|