Chemical ID: 4156167

Cc1cccc(c1)OCCCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-]
Chemical ID:
4156167
Name [?]:
N-(2-methoxy-5-nitro-phenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H20N2O5/c1-13-5-3-6-15(11-13)25-10-4-7-18(21)19-16-12-14(20(22)23)8-9-17(16)24-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,10,3,5,11,18,19,9,7,16,2,17,6,15,20,12,14,23,13,24,25,21,8/E:(22,23)/CRV:20.5/rA:25nCCCCCCCOCCCCONCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.84823
Area:580.022
Solvation:-9.65231
Coulombic:-45.9524
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:344.362
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.31
LogP (Chemaxon):3.48

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