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Chemical ID: 4151413
Chemical ID:
4151413
Name [?]:
2-(2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COc2ccccc2[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O4/c1-11-8-12(2)17(13(3)9-11)18-16(20)10-23-15-7-5-4-6-14(15)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,23,17,16,18,15,7,3,12,2,6,4,19,14,10,5,9,20,11,21,22,13/E:(2,3)(8,9)(12,13)(21,22)/CRV:19.5/rA:23nCCCCCCCCNCOCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.657968 |
Area: | 515.193 |
Solvation: | -12.2218 |
Coulombic: | -36.7971 |
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: | 3.33 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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