Chemical ID: 4213283

Cc1cc(ccc1NC(=O)COc2ccc(cc2)C(C)C)[N+](=O)[O-]
Chemical ID:
4213283
Name [?]:
2-(4-isopropylphenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2ccc(cc2)C(C)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H20N2O4/c1-12(2)14-4-7-16(8-5-14)24-11-18(21)19-17-9-6-15(20(22)23)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:20,21,1,15,17,5,14,18,6,3,11,19,2,16,4,13,7,9,8,22,10,23,24,12/E:(1,2)(4,5)(7,8)(22,23)/CRV:20.5/rA:24nCCCCCCCNCOCOCCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.68477
Area:557.834
Solvation:-9.26107
Coulombic:-40.2835
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:328.362
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.07
LogP (Chemaxon):3.84

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