ChemDB: Chemical Search
Download
Chemical ID: 7491544
Chemical ID:
7491544
Name [?]:
2-(2,5-dimethylphenoxy)-N,N-dipropyl-propanamide
SMILES [?]:
CCCN(CCC)C(=O)C(C)Oc1cc(ccc1C)C
InChi [?]:
InChI=1/C17H27NO2/c1-6-10-18(11-7-2)17(19)15(5)20-16-12-13(3)8-9-14(16)4/h8-9,12,15H,6-7,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,20,19,11,2,6,16,17,3,5,14,15,18,10,13,8,4,9,12/E:(1,2)(6,7)(10,11)/rA:20cCCCNCCCCOCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO2 |
All Atoms: | 47 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.3465 |
Area: | 502.422 |
Solvation: | -3.21405 |
Coulombic: | -26.0738 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 277.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.06 |
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 |
---|