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Chemical ID: 4084521

CCc1ccc(cc1)OCC(=O)N(Cc2ccccc2)c3cccc(c3)[N+](=O)[O-]

Chemical ID:

4084521

Name [?]:

N-benzyl-2-(4-ethylphenoxy)-N-(3-nitrophenyl)-acetamide

SMILES [?]:

CCc1ccc(cc1)OCC(=O)N(Cc2ccccc2)c3cccc(c3)[N+](=O)[O-]

InChi [?]:

InChI=1/C23H22N2O4/c1-2-18-11-13-22(14-12-18)29-17-23(26)24(16-19-7-4-3-5-8-19)20-9-6-10-21(15-20)25(27)28/h3-15H,2,16-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,18,17,19,23,16,20,22,24,4,8,5,7,26,14,10,3,15,21,25,6,11,13,27,12,28,29,9/E:(4,5)(7,8)(11,12)(13,14)(27,28)/CRV:25.5/rA:29nCCCCCCCCOCCONCCCCCCCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;d21s25;s25;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	5.09859
Area:	614.743
Solvation:	-10.27
Coulombic:	-37.1277

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	390.432
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.2
LogP (Chemaxon):	5.24

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