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Chemical ID: 5112504

Cc1ccc(cc1)OCC(=O)N(Cc2ccc(cc2)OC)c3ccc(cc3)[N+](=O)[O-]

Chemical ID:

5112504

Name [?]:

N-[(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)-N-(4-nitrophenyl)-acetamide

SMILES [?]:

Cc1ccc(cc1)OCC(=O)N(Cc2ccc(cc2)OC)c3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C23H22N2O5/c1-17-3-11-22(12-4-17)30-16-23(26)24(15-18-5-13-21(29-2)14-6-18)19-7-9-20(10-8-19)25(27)28/h3-14H,15-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,3,7,15,19,23,27,24,26,4,6,16,18,13,9,2,14,22,25,17,5,10,12,28,11,29,30,20,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(27,28)/CRV:25.5/rA:30nCCCCCCCOCCONCCCCCCCOCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s12;s22;d23;s24;d25;d22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	4.63906
Area:	633.931
Solvation:	-11.2092
Coulombic:	-43.1591

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	406.431
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.65
LogP (Chemaxon):	4.59

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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