Chemical ID: 4210284

Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2OC)[N+](=O)[O-])C
Chemical ID:
4210284
Name [?]:
2-(2,5-dimethylphenoxy)-N-(2-methoxy-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2OC)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O5/c1-11-4-5-12(2)15(8-11)24-10-17(20)18-14-7-6-13(19(21)22)9-16(14)23-3/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,24,20,3,4,15,14,7,17,9,2,5,16,13,6,18,10,12,21,11,22,23,19,8/E:(21,22)/CRV:19.5/rA:24nCCCCCCCOCCONCCCCCCOCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.17761
Area:547.745
Solvation:-9.51602
Coulombic:-46.7636
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:3.02
LogP (Chemaxon):3.51

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Descriptor Annotations

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