ChemDB: Chemical Search
Download
Chemical ID: 7102267
Chemical ID:
7102267
Name [?]:
2-[4-(isobutylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)CNCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C17H28N2O2/c1-13(2)10-18-11-14-6-8-15(9-7-14)21-12-16(20)19-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,21,8,12,9,11,4,6,14,2,7,10,15,18,5,17,16,13/E:(1,2)(3,4,5)(6,7)(8,9)/rA:21nCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28N2O2 |
All Atoms: | 49 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67001 |
Area: | 544.69 |
Solvation: | -3.94724 |
Coulombic: | -38.1773 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.0 |
LogP (Chemaxon): | 2.29 |
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 |
---|