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Chemical ID: 4143348
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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