ChemDB: Chemical Search
Download
Chemical ID: 4151948
Chemical ID:
4151948
Name [?]:
N-(2,6-diisopropylphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)COc2ccccc2[N+](=O)[O-])C(C)C
InChi [?]:
InChI=1/C20H24N2O4/c1-13(2)15-8-7-9-16(14(3)4)20(15)21-19(23)12-26-18-11-6-5-10-17(18)22(24)25/h5-11,13-14H,12H2,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,18,17,6,5,7,19,16,13,2,24,4,8,20,15,11,9,10,21,12,22,23,14/E:(1,2,3,4)(8,9)(13,14)(15,16)(24,25)/CRV:22.5/rA:26nCCCCCCCCCNCOCOCCCCCCN+OO-CCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s8;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.18809 |
Area: | 574.43 |
Solvation: | -12.1727 |
Coulombic: | -38.4657 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 356.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.83 |
LogP (Chemaxon): | 3.92 |
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 |
---|