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Chemical ID: 7268857
Chemical ID:
7268857
Name [?]:
4-(4-methoxyphenoxy)-N-(2-methyl-3-nitro-phenyl)-butanamide
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])NC(=O)CCCOc2ccc(cc2)OC
InChi [?]:
InChI=1/C18H20N2O5/c1-13-16(5-3-6-17(13)20(22)23)19-18(21)7-4-12-25-15-10-8-14(24-2)9-11-15/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,25,5,15,4,6,14,20,22,19,23,16,2,21,18,3,7,12,11,8,13,9,10,24,17/E:(8,9)(10,11)(22,23)/CRV:20.5/rA:25nCCCCCCCN+OO-NCOCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O5 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.3669 |
Area: | 576.36 |
Solvation: | -10.0421 |
Coulombic: | -45.8748 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 344.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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