ChemDB: Chemical Search
Download
Chemical ID: 4154939
Chemical ID:
4154939
Name [?]:
N-(4-isopropoxyphenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)Oc1ccc(cc1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C14H21NO2/c1-10(2)17-12-8-6-11(7-9-12)15-13(16)14(3,4)5/h6-10H,1-5H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,17,7,9,6,10,2,8,5,12,14,11,13,4/E:(1,2)(3,4,5)(6,7)(8,9)/rA:17nCCCOCCCCCCNCOCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2744 |
Area: | 439.969 |
Solvation: | -2.72482 |
Coulombic: | -28.7097 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.73 |
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 |
---|