Chemical ID: 4159970

CCc1cccc(c1)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4159970
Name [?]:
2-(3-ethylphenoxy)-N-(4-nitrophenyl)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O4/c1-2-12-4-3-5-15(10-12)22-11-16(19)17-13-6-8-14(9-7-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,15,19,16,18,8,10,3,14,17,7,11,13,20,12,21,22,9/E:(6,7)(8,9)(20,21)/CRV:18.5/rA:22nCCCCCCCCOCCONCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.62634
Area:521.477
Solvation:-9.41057
Coulombic:-39.9281
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.309
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.34
LogP (Chemaxon):3.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue