Chemical ID: 5753820

Cc1cccc(c1OCCNC(=O)C)C
Chemical ID:
5753820
Name [?]:
N-[2-(2,6-dimethylphenoxy)ethyl]acetamide
SMILES [?]:
Cc1cccc(c1OCCNC(=O)C)C
InChi [?]:
InChI=1/C12H17NO2/c1-9-5-4-6-10(2)12(9)15-8-7-13-11(3)14/h4-6H,7-8H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,14,4,3,5,10,9,2,6,12,7,11,13,8/E:(1,2)(5,6)(9,10)/rA:15nCCCCCCCOCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.16555
Area:401.694
Solvation:-2.8768
Coulombic:-28.079
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):1.76

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Descriptor Annotations

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