Chemical ID: 4156088

CCc1cccc(c1NC(=O)COc2ccccc2[N+](=O)[O-])CC
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

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Descriptor Annotations

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