Chemical ID: 6988823

CC(C)c1ccccc1OCC(=O)Nc2ccccc2
Chemical ID:
6988823
Name [?]:
2-(2-isopropylphenoxy)-N-phenyl-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-13(2)15-10-6-7-11-16(15)20-12-17(19)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,6,7,16,20,5,8,11,2,15,4,9,12,14,13,10/E:(1,2)(4,5)(8,9)/rA:20nCCCCCCCCCOCCONCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO2
All Atoms:39
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.24143
Area:485.184
Solvation:-3.88818
Coulombic:-30.09
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):4.07

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