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Chemical ID: 4145608
Chemical ID:
4145608
Name [?]:
2-(2,5-dimethylphenoxy)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2)N3CCOCC3)C
InChi [?]:
InChI=1/C20H24N2O3/c1-15-3-4-16(2)19(13-15)25-14-20(23)21-17-5-7-18(8-6-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,3,4,14,18,15,17,20,24,21,23,7,9,2,5,13,16,6,10,12,19,11,22,8/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCOCCONCCCCCCNCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;s22;s19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30122 |
Area: | 565.402 |
Solvation: | -5.83383 |
Coulombic: | -42.4051 |
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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