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Chemical ID: 6943697
Chemical ID:
6943697
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccc(cc2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O4/c1-3-13-6-4-5-12(2)17(13)18-16(20)11-23-15-9-7-14(8-10-15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,5,6,4,16,18,15,19,12,7,3,17,14,10,8,9,20,11,21,22,13/E:(7,8)(9,10)(21,22)/CRV:19.5/rA:23nCCCCCCCCNCOCOCCCCCCN+OO-C/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O4 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.08823 |
Area: | 523.951 |
Solvation: | -10.0105 |
Coulombic: | -38.7065 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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