ChemDB: Chemical Search
Download
Chemical ID: 6400055
Chemical ID:
6400055
Name [?]:
N-(2,6-diethylphenyl)-2-phenyl-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)Cc2ccccc2)CC
InChi [?]:
InChI=1/C18H21NO/c1-3-15-11-8-12-16(4-2)18(15)19-17(20)13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,19,16,15,17,5,14,18,4,6,12,13,3,7,10,8,9,11/E:(1,2)(3,4)(6,7)(9,10)(11,12)(15,16)/rA:20nCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s7;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54023 |
Area: | 480.882 |
Solvation: | -2.48182 |
Coulombic: | -22.319 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.64 |
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 |
---|