ChemDB: Chemical Search
Download
Chemical ID: 6948453
Chemical ID:
6948453
Name [?]:
2,2-dimethyl-N-(2-sec-butylphenyl)-propanamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C15H23NO/c1-6-11(2)12-9-7-8-10-13(12)16-14(17)15(3,4)5/h7-11H,6H2,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,15,16,17,2,7,8,6,9,3,5,10,12,14,11,13/E:(3,4,5)/rA:17cCCCCCCCCCCNCOCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO |
All Atoms: | 40 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.36886 |
Area: | 438.584 |
Solvation: | -1.59575 |
Coulombic: | -22.8935 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 4.17 |
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 |
---|