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Chemical ID: 4229944
Chemical ID:
4229944
Name [?]:
2-(2,4-dimethylphenoxy)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2ccc(cc2)N3CCOCC3
InChi [?]:
InChI=1/C20H24N2O3/c1-15-3-8-19(16(2)13-15)25-14-20(23)21-17-4-6-18(7-5-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,3,15,19,16,18,4,21,25,22,24,7,10,2,6,14,17,5,11,13,20,12,23,9/E:(4,5)(6,7)(9,10)(11,12)/rA:25nCCCCCCCCOCCONCCCCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38152 |
Area: | 566.584 |
Solvation: | -5.78308 |
Coulombic: | -42.3633 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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