ChemDB: Chemical Search
Download
Chemical ID: 4876853
Chemical ID:
4876853
Name [?]:
N-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CN2CCN(CC2)CCO
InChi [?]:
InChI=1/C16H25N3O2/c1-13-3-4-15(11-14(13)2)17-16(21)12-19-7-5-18(6-8-19)9-10-20/h3-4,11,20H,5-10,12H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,15,17,14,18,19,20,6,12,2,7,5,10,9,16,13,21,11/E:(5,6)(7,8)/rA:21nCCCCCCCCNCOCNCCNCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97218 |
Area: | 510.033 |
Solvation: | -4.77865 |
Coulombic: | -45.3869 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.389 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.61 |
LogP (Chemaxon): | 1.53 |
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 |
---|