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Chemical ID: 6990142
Chemical ID:
6990142
Name [?]:
2-(2,6-dimethylphenoxy)-N-(2-methoxy-5-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O5/c1-11-5-4-6-12(2)17(11)24-10-16(20)18-14-9-13(19(21)22)7-8-15(14)23-3/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,24,20,4,3,5,16,17,14,9,2,6,15,13,18,10,7,12,21,11,22,23,19,8/E:(1,2)(5,6)(11,12)(21,22)/CRV:19.5/rA:24nCCCCCCCOCCONCCCCCCOCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;d21;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.02514 |
Area: | 540.999 |
Solvation: | -9.49983 |
Coulombic: | -47.2161 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.81 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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