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Chemical ID: 7328501
Chemical ID:
7328501
Name [?]:
2-(4-acetylphenoxy)-N-(1-naphthyl)acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)OCC(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H17NO3/c1-14(22)15-9-11-17(12-10-15)24-13-20(23)21-19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,17,24,18,21,16,5,9,6,8,11,2,4,19,7,20,15,12,14,3,13,10/E:(9,10)(11,12)/rA:24nCCOCCCCCCOCCONCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO3 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.149 |
Area: | 536.922 |
Solvation: | -5.27404 |
Coulombic: | -36.6955 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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