Chemical ID: 6988834

CC(C)c1ccccc1OCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-]
Chemical ID:
6988834
Name [?]:
2-(2-isopropylphenoxy)-N-(2-methoxy-5-nitro-phenyl)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H20N2O5/c1-12(2)14-6-4-5-7-16(14)25-11-18(21)19-15-10-13(20(22)23)8-9-17(15)24-3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,22,6,7,5,8,18,19,16,11,2,17,4,15,9,20,12,14,23,13,24,25,21,10/E:(1,2)(22,23)/CRV:20.5/rA:25nCCCCCCCCCOCCONCCCCCCOCN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;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:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.46055
Area:568.538
Solvation:-9.75289
Coulombic:-47.5592
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:344.362
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.55
LogP (Chemaxon):3.77

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Descriptor Annotations

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