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Chemical ID: 6490191
Chemical ID:
6490191
Name [?]:
2-(5-isopropyl-2-methyl-phenoxy)-N-[(4-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
Cc1ccc(cc1OCC(=O)NN=Cc2ccc(cc2)OC)C(C)C
InChi [?]:
InChI=1/C20H24N2O3/c1-14(2)17-8-5-15(3)19(11-17)25-13-20(23)22-21-12-16-6-9-18(24-4)10-7-16/h5-12,14H,13H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:24,25,1,22,3,16,20,4,17,19,6,14,9,23,2,15,5,18,7,10,13,12,11,21,8/E:(1,2)(6,7)(9,10)/rA:25nCCCCCCCOCCONNCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s5;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01777 |
Area: | 587.248 |
Solvation: | -6.66342 |
Coulombic: | -33.4958 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 340.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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