Chemical ID: 4441373

Cc1cc(c(c(c1)OCC(=O)NCc2ccccn2)C)C
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

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Descriptor Annotations

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