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Chemical ID: 4441373
Chemical ID:
4441373
Name [?]:
N-(2-pyridylmethyl)-2-(2,3,5-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)OCC(=O)NCc2ccccn2)C)C
InChi [?]:
InChI=1/C17H20N2O2/c1-12-8-13(2)14(3)16(9-12)21-11-17(20)19-10-15-6-4-5-7-18-15/h4-9H,10-11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,16,17,15,18,3,7,13,9,2,4,5,14,6,10,19,12,11,8/rA:21nCCCCCCCOCCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49695 |
Area: | 513.303 |
Solvation: | -4.33561 |
Coulombic: | -33.4917 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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