ChemDB: Chemical Search
Download
Chemical ID: 6591258
Chemical ID:
6591258
Name [?]:
2-(4-cyanophenoxy)-N-(1-methyl-3-phenyl-propyl)-acetamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)COc2ccc(cc2)C#N
InChi [?]:
InChI=1/C19H20N2O2/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-23-18-11-9-17(13-20)10-12-18/h2-6,9-12,15H,7-8,14H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,10,3,4,18,20,17,21,22,14,2,5,19,16,12,23,11,13,15/E:(3,4)(5,6)(9,10)(11,12)/rA:23cCCCCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.6038 |
Area: | 565.823 |
Solvation: | -4.54179 |
Coulombic: | -33.4285 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 308.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.37 |
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 |
---|