Chemical ID: 6990142

Cc1cccc(c1OCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-])C
Chemical ID:
6990142
Name [?]:
2-(2,6-dimethylphenoxy)-N-(2-methoxy-5-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O5/c1-11-5-4-6-12(2)17(11)24-10-16(20)18-14-9-13(19(21)22)7-8-15(14)23-3/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,24,20,4,3,5,16,17,14,9,2,6,15,13,18,10,7,12,21,11,22,23,19,8/E:(1,2)(5,6)(11,12)(21,22)/CRV:19.5/rA:24nCCCCCCCOCCONCCCCCCOCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;d21;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O5
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.02514
Area:540.999
Solvation:-9.49983
Coulombic:-47.2161
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.335
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.81
LogP (Chemaxon):3.51

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Descriptor Annotations

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