Chemical ID: 4159949

CCc1cccc(c1)OCC(=O)Nc2ccc(c(c2)C)C
Chemical ID:
4159949
Name [?]:
N-(3,4-dimethylphenyl)-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-4-15-6-5-7-17(11-15)21-12-18(20)19-16-9-8-13(2)14(3)10-16/h5-11H,4,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,2,5,4,6,16,15,19,8,10,17,18,3,14,7,11,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.7733
Area:509.867
Solvation:-3.97338
Coulombic:-29.1204
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.45
LogP (Chemaxon):4.67

Name Annotations

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Descriptor Annotations

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