ChemDB: Chemical Search
Download
Chemical ID: 4630564
Chemical ID:
4630564
Name [?]:
N-(2-hydroxyethyl)-N-isopropyl-2,2-diphenyl-acetamide
SMILES [?]:
CC(C)N(CCO)C(=O)C(c1ccccc1)c2ccccc2
InChi [?]:
InChI=1/C19H23NO2/c1-15(2)20(13-14-21)19(22)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,20,13,15,19,21,12,16,18,22,5,6,2,11,17,10,8,4,7,9/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(16,17)/rA:22nCCCNCCOCOCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96911 |
Area: | 483.421 |
Solvation: | -3.1164 |
Coulombic: | -36.43 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.4 |
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 |
---|