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Chemical ID: 4173454
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
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Experimental Annotations
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Descriptor Annotations
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