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Chemical ID: 6988834
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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