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Chemical ID: 4148740
Chemical ID:
4148740
Name [?]:
N-(2-ethoxyphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)COc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O5/c1-2-22-14-9-5-3-7-12(14)17-16(19)11-23-15-10-6-4-8-13(15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,7,18,6,17,8,19,5,16,13,9,20,4,15,11,10,21,12,22,23,3,14/E:(20,21)/CRV:18.5/rA:23nCCOCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.426284 |
Area: | 522.989 |
Solvation: | -12.6484 |
Coulombic: | -45.5134 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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