ChemDB: Chemical Search
Download
Chemical ID: 7273381
Chemical ID:
7273381
Name [?]:
N-(1,1-dimethylpropyl)-2-(4-phenylphenyl)-acetamide
SMILES [?]:
CCC(C)(C)NC(=O)Cc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C19H23NO/c1-4-19(2,3)20-18(21)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,19,18,20,17,21,11,15,12,14,9,10,16,13,7,3,6,8/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO |
All Atoms: | 44 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2845 |
Area: | 504.326 |
Solvation: | -2.32366 |
Coulombic: | -23.5115 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.05 |
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 |
---|