ChemDB: Chemical Search
Download
Chemical ID: 4688161
Chemical ID:
4688161
Name [?]:
3-chloro-2,2-dimethyl-N-(4-morpholinophenyl)-propanamide
SMILES [?]:
CC(C)(CCl)C(=O)Nc1ccc(cc1)N2CCOCC2
InChi [?]:
InChI=1/C15H21ClN2O2/c1-15(2,11-16)14(19)17-12-3-5-13(6-4-12)18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,10,14,11,13,16,20,17,19,4,9,12,6,2,5,8,15,7,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCClCONCCCCCCNCCOCC/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21ClN2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61846 |
Area: | 488.915 |
Solvation: | -3.6044 |
Coulombic: | -35.5006 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.792 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.17 |
LogP (Chemaxon): | 3.29 |
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 |
---|