Chemical ID: 4153186

Cc1cccc(c1)NC(=O)CCCOc2ccccc2C
Chemical ID:
4153186
Name [?]:
4-(2-methylphenoxy)-N-(m-tolyl)butanamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CCCOc2ccccc2C
InChi [?]:
InChI=1/C18H21NO2/c1-14-7-5-9-16(13-14)19-18(20)11-6-12-21-17-10-4-3-8-15(17)2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,18,17,4,12,3,19,5,16,11,13,7,2,20,6,15,9,8,10,14/rA:21nCCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.25826
Area:515.559
Solvation:-3.6307
Coulombic:-28.4505
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):4.24

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