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Chemical ID: 5794237
Chemical ID:
5794237
Name [?]:
2-(4-butylphenoxy)-N-[(3-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC
InChi [?]:
InChI=1/C20H24N2O3/c1-3-4-6-16-9-11-18(12-10-16)25-15-20(23)22-21-14-17-7-5-8-19(13-17)24-2/h5,7-14H,3-4,6,15H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,20,4,19,21,6,10,7,9,23,17,12,5,18,8,22,13,16,15,14,24,11/E:(9,10)(11,12)/rA:25nCCCCCCCCCCOCCONNCCCCCCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43576 |
Area: | 603.745 |
Solvation: | -6.65786 |
Coulombic: | -33.9637 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 340.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.63 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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