ChemDB: Chemical Search
Download
Chemical ID: 4156118
Chemical ID:
4156118
Name [?]:
N-(2-methoxy-5-methyl-phenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2cc(ccc2OC)C
InChi [?]:
InChI=1/C19H23NO3/c1-14-6-4-7-16(12-14)23-11-5-8-19(21)20-17-13-15(2)9-10-18(17)22-3/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,4,10,3,5,11,18,19,9,7,16,2,17,6,15,20,12,14,13,21,8/rA:23nCCCCCCCOCCCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25097 |
Area: | 554.315 |
Solvation: | -4.6069 |
Coulombic: | -35.7647 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 313.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.99 |
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 |
---|