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Chemical ID: 4331159

Cc1cc(c(c(c1)C)OCC(=O)Nc2cccc(c2)[N+](=O)[O-])C

Chemical ID:

4331159

Name [?]:

N-(3-nitrophenyl)-2-(2,4,6-trimethylphenoxy)-acetamide

SMILES [?]:

Cc1cc(c(c(c1)C)OCC(=O)Nc2cccc(c2)[N+](=O)[O-])C

InChi [?]:

InChI=1/C17H18N2O4/c1-11-7-12(2)17(13(3)8-11)23-10-16(20)18-14-5-4-6-15(9-14)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,8,23,16,15,17,7,3,19,10,2,6,4,14,18,11,5,13,20,12,21,22,9/E:(2,3)(7,8)(12,13)(21,22)/CRV:19.5/rA:23nCCCCCCCCOCCONCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈N₂O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	3.7915
Area:	528.869
Solvation:	-9.43022
Coulombic:	-39.6896

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):	4.23

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value