ChemDB: Chemical Search
Download
Chemical ID: 6343036
Chemical ID:
6343036
Name [?]:
N,N,4-triisopropylbenzamide
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
InChi [?]:
InChI=1/C16H25NO/c1-11(2)14-7-9-15(10-8-14)16(18)17(12(3)4)13(5)6/h7-13H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,17,18,5,9,6,8,2,13,16,4,7,10,12,11/E:(1,2)(3,4,5,6)(7,8)(9,10)(12,13)/rA:18nCCCCCCCCCCONCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s13;s12;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.709 |
Area: | 451.09 |
Solvation: | -1.56824 |
Coulombic: | -19.7284 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 3.9 |
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 |
---|