ChemDB: Chemical Search
Download
Chemical ID: 5503569
Chemical ID:
5503569
Name [?]:
4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)-butanamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CCCN2CCCC2)C
InChi [?]:
InChI=1/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-6-10-19-8-4-5-9-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,20,17,18,13,12,16,19,14,7,3,2,6,4,10,5,9,15,11/E:(2,3)(4,5)(8,9)(11,12)(14,15)/rA:20nCCCCCCCCNCOCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s17;s15s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81981 |
Area: | 495.319 |
Solvation: | -2.56317 |
Coulombic: | -24.4805 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.1 |
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 |
---|