Chemical ID: 4152333

Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4152333
Name [?]:
2-(4-isopropyl-3-methyl-phenoxy)-N-(4-nitrophenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H20N2O4/c1-12(2)17-9-8-16(10-13(17)3)24-11-18(21)19-14-4-6-15(7-5-14)20(22)23/h4-10,12H,11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:9,10,1,17,21,18,20,5,6,3,12,8,2,16,19,4,7,13,15,22,14,23,24,11/E:(1,2)(4,5)(6,7)(22,23)/CRV:20.5/rA:24nCCCCCCCCCCOCCONCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.543
Area:558.836
Solvation:-9.42789
Coulombic:-40.0229
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:4.29
LogP (Chemaxon):4.49

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Descriptor Annotations

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