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Chemical ID: 4209662
Chemical ID:
4209662
Name [?]:
2-(4-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)NCc2ccccc2OC
InChi [?]:
InChI=1/C18H21NO3/c1-3-14-8-10-16(11-9-14)22-13-18(20)19-12-15-6-4-5-7-17(15)21-2/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,18,16,19,4,8,5,7,14,10,3,15,6,20,11,13,12,21,9/E:(8,9)(10,11)/rA:22nCCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2103 |
Area: | 535.913 |
Solvation: | -5.18752 |
Coulombic: | -37.2972 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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