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Chemical ID: 4210656
Chemical ID:
4210656
Name [?]:
2-(4-ethylphenoxy)-N-(1-phenylethyl)acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)NC(C)c2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-3-15-9-11-17(12-10-15)21-13-18(20)19-14(2)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,2,19,18,20,17,21,4,8,5,7,10,14,3,16,6,11,13,12,9/E:(5,6)(7,8)(9,10)(11,12)/rA:21cCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.08658 |
Area: | 518.769 |
Solvation: | -3.88265 |
Coulombic: | -31.063 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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