Chemical ID: 4151491

Cc1cccc(c1)NC(=O)CCCOc2ccccc2
Chemical ID:
4151491
Name [?]:
N-(m-tolyl)-4-phenoxy-butanamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-14-7-5-8-15(13-14)18-17(19)11-6-12-20-16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,4,12,3,5,16,20,11,13,7,2,6,15,9,8,10,14/E:(3,4)(9,10)/rA:20nCCCCCCCNCOCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.69585
Area:495.366
Solvation:-3.68829
Coulombic:-28.5344
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):3.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue