ChemDB: Chemical Search
Download
Chemical ID: 6340736
Chemical ID:
6340736
Name [?]:
3,5-dimethoxy-N-(1-methylhexyl)benzamide
SMILES [?]:
CCCCCC(C)NC(=O)c1cc(cc(c1)OC)OC
InChi [?]:
InChI=1/C16H25NO3/c1-5-6-7-8-12(2)17-16(18)13-9-14(19-3)11-15(10-13)20-4/h9-12H,5-8H2,1-4H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,18,20,2,3,4,5,16,12,14,6,11,15,13,9,8,10,17,19/E:(3,4)(9,10)(14,15)(19,20)/rA:20cCCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.00225 |
Area: | 521.256 |
Solvation: | -4.02916 |
Coulombic: | -36.6843 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 279.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.2 |
LogP (Chemaxon): | 2.85 |
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 |
---|