Chemical ID: 4159972

CCc1cccc(c1)OCC(=O)Nc2cc(ccc2C)[N+](=O)[O-]
Chemical ID:
4159972
Name [?]:
2-(3-ethylphenoxy)-N-(2-methyl-5-nitro-phenyl)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2cc(ccc2C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O4/c1-3-13-5-4-6-15(9-13)23-11-17(20)18-16-10-14(19(21)22)8-7-12(16)2/h4-10H,3,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,5,4,6,18,17,8,15,10,19,3,16,7,14,11,13,21,12,22,23,9/E:(21,22)/CRV:19.5/rA:23nCCCCCCCCOCCONCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.54794
Area:537.144
Solvation:-8.88066
Coulombic:-40.5281
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:314.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.57
LogP (Chemaxon):3.51

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Descriptor Annotations

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