Chemical ID: 4219563

Cc1cccc(c1)OCC(=O)Nc2ccc(cc2)C(C)C
Chemical ID:
4219563
Name [?]:
N-(4-isopropylphenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H21NO2/c1-13(2)15-7-9-16(10-8-15)19-18(20)12-21-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,21,1,4,3,5,15,17,14,18,7,9,19,2,16,13,6,10,12,11,8/E:(1,2)(7,8)(9,10)/rA:21nCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.78545
Area:510.789
Solvation:-3.98427
Coulombic:-29.6407
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:4.52
LogP (Chemaxon):4.54

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