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Chemical ID: 5542280
Chemical ID:
5542280
Name [?]:
N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)COc2cccc(c2)OC
InChi [?]:
InChI=1/C17H19NO3/c1-12-6-4-9-16(13(12)2)18-17(19)11-21-15-8-5-7-14(10-15)20-3/h4-10H,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,21,4,16,3,17,15,5,19,12,2,7,18,14,6,10,9,11,20,13/rA:21nCCCCCCCCNCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00312 |
Area: | 496.566 |
Solvation: | -5.41104 |
Coulombic: | -35.1835 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.25 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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