Chemical ID: 4144416

CCc1ccccc1NC(=O)CCCOc2ccccc2
Chemical ID:
4144416
Name [?]:
N-(2-ethylphenyl)-4-phenoxy-butanamide
SMILES [?]:
CCc1ccccc1NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-2-15-9-6-7-12-17(15)19-18(20)13-8-14-21-16-10-4-3-5-11-16/h3-7,9-12H,2,8,13-14H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,5,6,13,4,17,21,7,12,14,3,16,8,10,9,11,15/E:(4,5)(10,11)/rA:21nCCCCCCCCNCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:9.26827
Area:515.264
Solvation:-3.61332
Coulombic:-29.065
Bond Count [?]
All:22
Single:15
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.88
LogP (Chemaxon):3.52

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