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Chemical ID: 7528087
Chemical ID:
7528087
Name [?]:
2-(4,6-dimethylbenzofuran-3-yl)-N-(3-morpholinopropyl)acetamide
SMILES [?]:
Cc1cc(c2c(c1)occ2CC(=O)NCCCN3CCOCC3)C
InChi [?]:
InChI=1/C19H26N2O3/c1-14-10-15(2)19-16(13-24-17(19)11-14)12-18(22)20-4-3-5-21-6-8-23-9-7-21/h10-11,13H,3-9,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,16,15,17,19,23,20,22,3,7,11,9,2,4,10,6,12,5,14,18,13,21,8/E:(6,7)(8,9)/rA:24nCCCCCCCOCCCCONCCCNCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.91982 |
Area: | 560.038 |
Solvation: | -5.08113 |
Coulombic: | -39.5754 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.89 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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