ChemDB: Chemical Search
Download
Chemical ID: 7108561
Chemical ID:
7108561
Name [?]:
N-tert-butyl-2-[4-(1,1,3,3-tetramethylbutylaminomethyl)phenoxy]-acetamide
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C21H36N2O2/c1-19(2,3)15-21(7,8)22-13-16-9-11-17(12-10-16)25-14-18(24)23-20(4,5)6/h9-12,22H,13-15H2,1-8H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,24,25,7,8,12,16,13,15,10,18,5,11,14,19,2,22,6,9,21,20,17/E:(1,2,3)(4,5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H36N2O2 |
All Atoms: | 61 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1655 |
Area: | 595.998 |
Solvation: | -3.73443 |
Coulombic: | -38.682 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 348.523 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 3.54 |
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 |
---|