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Chemical ID: 4159951
Chemical ID:
4159951
Name [?]:
N-(2-ethoxyphenyl)-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccccc2OCC
InChi [?]:
InChI=1/C18H21NO3/c1-3-14-8-7-9-15(12-14)22-13-18(20)19-16-10-5-6-11-17(16)21-4-2/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,16,17,5,4,6,15,18,8,10,3,7,14,19,11,13,12,20,9/rA:22nCCCCCCCCOCCONCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5989 |
Area: | 530.855 |
Solvation: | -4.67247 |
Coulombic: | -37.418 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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