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Chemical ID: 7258230
Chemical ID:
7258230
Name [?]:
2-(3-acetylphenoxy)-N-(2-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)COc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C18H19NO4/c1-3-22-17-10-5-4-9-16(17)19-18(21)12-23-15-8-6-7-14(11-15)13(2)20/h4-11H,3,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,7,6,17,18,16,8,5,20,13,21,19,15,9,4,11,10,22,12,3,14/rA:23nCCOCCCCCCNCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO4 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55933 |
Area: | 544.09 |
Solvation: | -6.04293 |
Coulombic: | -43.305 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 313.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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