Chemical ID: 4151413

Cc1cc(c(c(c1)C)NC(=O)COc2ccccc2[N+](=O)[O-])C
Chemical ID:
4151413
Name [?]:
2-(2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COc2ccccc2[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O4/c1-11-8-12(2)17(13(3)9-11)18-16(20)10-23-15-7-5-4-6-14(15)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,23,17,16,18,15,7,3,12,2,6,4,19,14,10,5,9,20,11,21,22,13/E:(2,3)(8,9)(12,13)(21,22)/CRV:19.5/rA:23nCCCCCCCCNCOCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:0.657968
Area:515.193
Solvation:-12.2218
Coulombic:-36.7971
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.33
LogP (Chemaxon):2.93

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Descriptor Annotations

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