Chemical ID: 6988837

CC(C)c1ccccc1OCC(=O)NCc2ccccc2
Chemical ID:
6988837
Name [?]:
N-benzyl-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NCc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-14(2)16-10-6-7-11-17(16)21-13-18(20)19-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,6,7,17,21,5,8,15,11,2,16,4,9,12,14,13,10/E:(1,2)(4,5)(8,9)/rA:21nCCCCCCCCCOCCONCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:42
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.20332
Area:518.145
Solvation:-3.7503
Coulombic:-31.4961
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):3.69

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