Chemical ID: 7505848

CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2)[N+](=O)[O-]
Chemical ID:
7505848
Name [?]:
N-(3-nitrophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H20N2O4/c1-3-13(2)14-7-9-17(10-8-14)24-12-18(21)19-15-5-4-6-16(11-15)20(22)23/h4-11,13H,3,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,2,18,17,19,6,10,7,9,21,12,3,5,16,20,8,13,15,22,14,23,24,11/E:(7,8)(9,10)(22,23)/CRV:20.5/rA:24cCCCCCCCCCCOCCONCCCCCCN+OO-/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O4
All Atoms:44
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:4.28646
Area:562.381
Solvation:-9.77306
Coulombic:-40.3284
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:328.362
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.42
LogP (Chemaxon):4.42

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Descriptor Annotations

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