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Chemical ID: 4148740

Chemical ID:

4148740

Name [?]:

N-(2-ethoxyphenyl)-2-(2-nitrophenoxy)-acetamide

SMILES [?]:

CCOc1ccccc1NC(=O)COc2ccccc2[N+](=O)[O-]

InChi [?]:

InChI=1/C16H16N2O5/c1-2-22-14-9-5-3-7-12(14)17-16(19)11-23-15-10-6-4-8-13(15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,2,7,18,6,17,8,19,5,16,13,9,20,4,15,11,10,21,12,22,23,3,14/E:(20,21)/CRV:18.5/rA:23nCCOCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆N₂O₅
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	0.426284
Area:	522.989
Solvation:	-12.6484
Coulombic:	-45.5134

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	316.309
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.78
LogP (Chemaxon):	2.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value