Chemical ID: 4160464

Cc1ccc(c(c1)C)OCCCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-]
Chemical ID:
4160464
Name [?]:
4-(2,4-dimethylphenoxy)-N-(2-methoxy-5-nitro-phenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H22N2O5/c1-13-6-8-17(14(2)11-13)26-10-4-5-19(22)20-16-12-15(21(23)24)7-9-18(16)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,23,11,12,3,19,4,20,10,7,17,2,6,18,16,5,21,13,15,24,14,25,26,22,9/E:(23,24)/CRV:21.5/rA:26nCCCCCCCCOCCCCONCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s18;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.34089
Area:599.566
Solvation:-9.64826
Coulombic:-45.8347
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:358.388
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.54
LogP (Chemaxon):3.94

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue