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Chemical ID: 6645716
Chemical ID:
6645716
Name [?]:
2-(4-butylphenoxy)-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]acetamide
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)O
InChi [?]:
InChI=1/C20H24N2O4/c1-3-4-5-15-6-9-17(10-7-15)26-14-20(24)22-21-13-16-8-11-18(23)19(12-16)25-2/h6-13,23H,3-5,14H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,4,6,10,19,7,9,20,23,17,12,5,18,8,21,22,13,16,15,26,14,24,11/E:(6,7)(9,10)/rA:26nCCCCCCCCCCOCCONNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53219 |
Area: | 618.63 |
Solvation: | -7.93355 |
Coulombic: | -49.1719 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 356.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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