ChemDB: Chemical Search
Download
Chemical ID: 5865219
Chemical ID:
5865219
Name [?]:
3,4-dimethoxy-N-(2-sec-butylaminoethyl)benzamide
SMILES [?]:
CCC(C)NCCNC(=O)c1ccc(c(c1)OC)OC
InChi [?]:
InChI=1/C15H24N2O3/c1-5-11(2)16-8-9-17-15(18)12-6-7-13(19-3)14(10-12)20-4/h6-7,10-11,16H,5,8-9H2,1-4H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,20,18,2,12,13,6,7,16,3,11,14,15,9,5,8,10,19,17/rA:20cCCCCNCCNCOCCCCCCOCOC/rB:s1;s2;s3;s3;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.57293 |
Area: | 516.846 |
Solvation: | -5.34822 |
Coulombic: | -44.5257 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.28 |
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 |
---|