Chemical ID: 4404502

Cc1ccc(cc1)NC(=O)COc2c(ccc(c2C)C)C
Chemical ID:
4404502
Name [?]:
N-(p-tolyl)-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2c(ccc(c2C)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12-5-9-16(10-6-12)19-17(20)11-21-18-14(3)8-7-13(2)15(18)4/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,3,7,16,15,4,6,11,2,17,14,18,5,9,13,8,10,12/E:(5,6)(9,10)/rA:21nCCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;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:8.88007
Area:500.878
Solvation:-3.64189
Coulombic:-29.3516
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:4.0
LogP (Chemaxon):4.74

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Descriptor Annotations

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