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Chemical ID: 7295137
Chemical ID:
7295137
Name [?]:
N-(4-acetylphenyl)-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C18H19NO3/c1-3-14-5-4-6-17(11-14)22-12-18(21)19-16-9-7-15(8-10-16)13(2)20/h4-11H,3,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,4,6,16,18,15,19,8,10,20,3,17,14,7,11,13,21,12,9/E:(7,8)(9,10)/rA:22nCCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15534 |
Area: | 527.075 |
Solvation: | -5.02154 |
Coulombic: | -36.0206 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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