ChemDB: Chemical Search
Download
Chemical ID: 6157359
Chemical ID:
6157359
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-2-(p-tolyl)acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)Cc2ccc(cc2)C)C
InChi [?]:
InChI=1/C18H21NO/c1-4-16-7-5-6-14(3)18(16)19-17(20)12-15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,5,6,4,15,17,14,18,12,16,7,13,3,10,8,9,11/E:(8,9)(10,11)/rA:20nCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35025 |
Area: | 473.644 |
Solvation: | -2.49085 |
Coulombic: | -21.6561 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.72 |
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 |
---|