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Chemical ID: 7477249
Chemical ID:
7477249
Name [?]:
2-(3,4-dimethylphenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccc(cc2C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O4/c1-11-4-6-15(9-12(11)2)23-10-17(20)18-16-7-5-14(19(21)22)8-13(16)3/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,20,3,16,4,15,18,6,10,2,7,19,17,5,14,11,13,21,12,22,23,9/E:(21,22)/CRV:19.5/rA:23nCCCCCCCCOCCONCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O4 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.37039 |
Area: | 533.894 |
Solvation: | -8.97696 |
Coulombic: | -39.7404 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 314.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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