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Chemical ID: 4390333
Chemical ID:
4390333
Name [?]:
N-(4-ethoxyphenyl)-2-(3-methyl-4-nitro-phenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2ccc(c(c2)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O5/c1-3-23-14-6-4-13(5-7-14)18-17(20)11-24-15-8-9-16(19(21)22)12(2)10-15/h4-10H,3,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,8,5,9,16,17,20,13,19,7,4,15,18,11,10,22,12,23,24,3,14/E:(4,5)(6,7)(21,22)/CRV:19.5/rA:24nCCOCCCCCCNCOCOCCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.24181 |
Area: | 554.043 |
Solvation: | -10.6093 |
Coulombic: | -45.9758 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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