Chemical ID: 4143348

Cc1ccc(cc1NC(=O)COc2ccccc2C(C)(C)C)[N+](=O)[O-]
Chemical ID:
4143348
Name [?]:
N-(2-methyl-5-nitro-phenyl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccccc2C(C)(C)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H22N2O4/c1-13-9-10-14(21(23)24)11-16(13)20-18(22)12-25-17-8-6-5-7-15(17)19(2,3)4/h5-11H,12H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,16,15,17,14,3,4,6,11,2,5,18,7,13,9,19,8,23,10,24,25,12/E:(2,3,4)(23,24)/CRV:21.5/rA:25nCCCCCCCNCOCOCCCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;s5;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.36402
Area:554.155
Solvation:-9.48986
Coulombic:-40.3442
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:342.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.28
LogP (Chemaxon):4.27

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Descriptor Annotations

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