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Chemical ID: 4153790
Chemical ID:
4153790
Name [?]:
4-(4-ethylphenoxy)-N-(1-naphthyl)butanamide
SMILES [?]:
CCc1ccc(cc1)OCCCC(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C22H23NO2/c1-2-17-12-14-19(15-13-17)25-16-6-11-22(24)23-21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-10,12-15H,2,6,11,16H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,18,11,25,19,22,17,12,4,8,5,7,10,3,20,6,21,16,13,15,14,9/E:(12,13)(14,15)/rA:25nCCCCCCCCOCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6361 |
Area: | 578.629 |
Solvation: | -3.82957 |
Coulombic: | -29.8108 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.36 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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