Chemical ID: 4212688

Cc1cc(cc(c1)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-])C
Chemical ID:
4212688
Name [?]:
2-(3,5-dimethylphenoxy)-N-(4-nitrophenyl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O4/c1-11-7-12(2)9-15(8-11)22-10-16(19)17-13-3-5-14(6-4-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,14,18,15,17,3,7,5,9,2,4,13,16,6,10,12,19,11,20,21,8/E:(1,2)(3,4)(5,6)(8,9)(11,12)(20,21)/CRV:18.5/rA:22nCCCCCCCOCCONCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.53506
Area:517.136
Solvation:-9.39334
Coulombic:-39.3842
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.309
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.32
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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