Chemical ID: 4155009

Cc1ccccc1NC(=O)COc2c(ccc(c2C)C)C
Chemical ID:
4155009
Name [?]:
N-(o-tolyl)-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2c(ccc(c2C)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12-9-10-14(3)18(15(12)4)21-11-17(20)19-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,1,21,19,4,5,3,6,16,15,11,17,2,14,18,7,9,13,8,10,12/rA:21nCCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.83293
Area:497.349
Solvation:-3.60079
Coulombic:-29.5287
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):4.09

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Descriptor Annotations

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