ChemDB: Chemical Search
Download
Chemical ID: 7321469
Chemical ID:
7321469
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-(cyclohexylmethyl)acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)NCC2CCCCC2)C#N
InChi [?]:
InChI=1/C17H22N2O3/c1-21-16-9-14(10-18)7-8-15(16)22-12-17(20)19-11-13-5-3-2-4-6-13/h7-9,13H,2-6,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,6,7,4,21,14,10,15,5,8,3,11,22,13,12,2,9/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCONCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;s5;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00417 |
Area: | 539.97 |
Solvation: | -6.49508 |
Coulombic: | -38.0565 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 302.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.18 |
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 |
---|