Chemical ID: 4151493

Cc1cccc(c1C)NC(=O)CCCOc2ccccc2
Chemical ID:
4151493
Name [?]:
N-(2,3-dimethylphenyl)-4-phenoxy-butanamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-14-8-6-11-17(15(14)2)19-18(20)12-7-13-21-16-9-4-3-5-10-16/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,19,18,20,4,13,3,17,21,5,12,14,2,7,16,6,10,9,11,15/E:(4,5)(9,10)/rA:21nCCCCCCCCNCOCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.09005
Area:510.745
Solvation:-3.67857
Coulombic:-28.451
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.59

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