ChemDB: Chemical Search
Download
Chemical ID: 5849048
Chemical ID:
5849048
Name [?]:
N-(1-phenylethyl)-2-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CC(=O)NC(C)c2ccccc2
InChi [?]:
InChI=1/C17H19NO/c1-13-8-10-15(11-9-13)12-17(19)18-14(2)16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,17,16,18,15,19,3,7,4,6,8,2,12,5,14,9,11,10/E:(4,5)(6,7)(8,9)(10,11)/rA:19cCCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.39431 |
Area: | 471.027 |
Solvation: | -2.38137 |
Coulombic: | -23.2117 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
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 |
---|