ChemDB: Chemical Search
Download
Chemical ID: 5541243
Chemical ID:
5541243
Name [?]:
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-benzamide
SMILES [?]:
Cc1cc(cc(c1)C(=O)Nc2cc(cc(c2)OC)OC)C
InChi [?]:
InChI=1/C17H19NO3/c1-11-5-12(2)7-13(6-11)17(19)18-14-8-15(20-3)10-16(9-14)21-4/h5-10H,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,18,20,3,7,5,16,12,14,2,4,6,11,15,13,8,10,9,17,19/E:(1,2)(3,4)(6,7)(8,9)(11,12)(15,16)(20,21)/rA:21nCCCCCCCCONCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s13;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02769 |
Area: | 495.039 |
Solvation: | -4.34829 |
Coulombic: | -35.7831 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.53 |
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 |
---|