Chemical ID: 4390333

CCOc1ccc(cc1)NC(=O)COc2ccc(c(c2)C)[N+](=O)[O-]
Chemical ID:
4390333
Name [?]:
N-(4-ethoxyphenyl)-2-(3-methyl-4-nitro-phenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2ccc(c(c2)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O5/c1-3-23-14-6-4-13(5-7-14)18-17(20)11-24-15-8-9-16(19(21)22)12(2)10-15/h4-10H,3,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,8,5,9,16,17,20,13,19,7,4,15,18,11,10,22,12,23,24,3,14/E:(4,5)(6,7)(21,22)/CRV:19.5/rA:24nCCOCCCCCCNCOCOCCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.24181
Area:554.043
Solvation:-10.6093
Coulombic:-45.9758
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.335
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.01
LogP (Chemaxon):3.39

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Descriptor Annotations

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