Chemical ID: 4173454

CCOc1ccc(cc1)NC(=O)c2cccc3c2cccc3
Chemical ID:
4173454
Name [?]:
N-(4-ethoxyphenyl)naphthalene-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C19H17NO2/c1-2-22-16-12-10-15(11-13-16)20-19(21)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,15,22,16,19,14,6,8,5,9,17,7,4,18,13,11,10,12,3/E:(10,11)(12,13)/rA:22nCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.29405
Area:494.443
Solvation:-3.06703
Coulombic:-31.252
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):4.19

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