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Chemical ID: 7294252
Chemical ID:
7294252
Name [?]:
2-(2-methoxy-4-methyl-phenoxy)-N-(1-naphthyl)acetamide
SMILES [?]:
Cc1ccc(c(c1)OC)OCC(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H19NO3/c1-14-10-11-18(19(12-14)23-2)24-13-20(22)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,13H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,23,22,17,24,18,21,16,3,4,7,11,2,19,20,15,5,6,12,14,13,8,10/rA:24nCCCCCCCOCOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00831 |
Area: | 536.907 |
Solvation: | -6.41437 |
Coulombic: | -36.152 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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