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Chemical ID: 4742898
Chemical ID:
4742898
Name [?]:
N-[3-[2-(3-acetamidophenoxy)ethoxy]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1cccc(c1)OCCOc2cccc(c2)NC(=O)C
InChi [?]:
InChI=1/C18H20N2O4/c1-13(21)19-15-5-3-7-17(11-15)23-9-10-24-18-8-4-6-16(12-18)20-14(2)22/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,7,17,6,18,8,16,12,13,10,20,2,22,5,19,9,15,4,21,3,23,11,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCONCCCCCCOCCOCCCCCCNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.45883 |
Area: | 566.096 |
Solvation: | -6.69356 |
Coulombic: | -51.9908 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 328.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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