ChemDB: Chemical Search
Download
Chemical ID: 4251888
Chemical ID:
4251888
Name [?]:
N-(2-hydroxy-1,1-dimethyl-ethyl)-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)NC(C)(C)CO
InChi [?]:
InChI=1/C15H23NO2/c1-14(2,3)12-8-6-11(7-9-12)13(18)16-15(4,5)10-17/h6-9,17H,10H2,1-5H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,16,7,9,6,10,17,8,5,11,2,14,13,18,12/E:(1,2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCCCCCONCCCCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s14;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76885 |
Area: | 452.545 |
Solvation: | -2.54477 |
Coulombic: | -40.7102 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.62 |
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 |
---|