Chemical ID: 6850460

Cc1ccccc1NC(=O)CCCOc2cccc(c2C)C
Chemical ID:
6850460
Name [?]:
4-(2,3-dimethylphenoxy)-N-(o-tolyl)butanamide
SMILES [?]:
Cc1ccccc1NC(=O)CCCOc2cccc(c2C)C
InChi [?]:
InChI=1/C19H23NO2/c1-14-9-6-11-18(16(14)3)22-13-7-12-19(21)20-17-10-5-4-8-15(17)2/h4-6,8-11H,7,12-13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:22,1,21,4,5,17,12,3,18,6,16,11,13,19,2,20,7,15,9,8,10,14/rA:22nCCCCCCCNCOCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO2
All Atoms:45
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.67509
Area:531.209
Solvation:-3.60514
Coulombic:-28.3854
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):4.06

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