Chemical ID: 7268857

Cc1c(cccc1[N+](=O)[O-])NC(=O)CCCOc2ccc(cc2)OC
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

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Descriptor Annotations

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