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Chemical ID: 4158205
Chemical ID:
4158205
Name [?]:
2-(2-ethylphenoxy)-N-(2-methoxy-5-nitro-phenyl)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O5/c1-3-12-6-4-5-7-15(12)24-11-17(20)18-14-10-13(19(21)22)8-9-16(14)23-2/h4-10H,3,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,5,6,4,7,17,18,15,10,3,16,14,8,19,11,13,22,12,23,24,20,9/E:(21,22)/CRV:19.5/rA:24nCCCCCCCCOCCONCCCCCCOCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.9158 |
Area: | 545.668 |
Solvation: | -9.72591 |
Coulombic: | -47.2029 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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