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Chemical ID: 4156088
Chemical ID:
4156088
Name [?]:
N-(2,6-diethylphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccccc2[N+](=O)[O-])CC
InChi [?]:
InChI=1/C18H20N2O4/c1-3-13-8-7-9-14(4-2)18(13)19-17(21)12-24-16-11-6-5-10-15(16)20(22)23/h5-11H,3-4,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,17,16,5,4,6,18,15,12,3,7,19,14,10,8,9,20,11,21,22,13/E:(1,2)(3,4)(8,9)(13,14)(22,23)/CRV:20.5/rA:24nCCCCCCCCNCOCOCCCCCCN+OO-CC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s7;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.23002 |
Area: | 539.693 |
Solvation: | -12.2623 |
Coulombic: | -37.7811 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 328.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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