ChemDB: Chemical Search
Download
Chemical ID: 3966289
Chemical ID:
3966289
Name [?]:
N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide
SMILES [?]:
CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O
InChi [?]:
InChI=1/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,4,5,6,7,8,14,15,18,12,13,16,17,9,11,21,10,19/rA:21nCCCCCCCCCONCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74207 |
Area: | 563.06 |
Solvation: | -4.33444 |
Coulombic: | -45.4629 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 293.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.6 |
LogP (Chemaxon): | 3.46 |
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 |
---|