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Chemical ID: 7301209
Chemical ID:
7301209
Name [?]:
N-(3-acetylphenyl)-3-(4-methylphenoxy)-propanamide
SMILES [?]:
Cc1ccc(cc1)OCCC(=O)Nc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C18H19NO3/c1-13-6-8-17(9-7-13)22-11-10-18(21)19-16-5-3-4-15(12-16)14(2)20/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,16,17,15,3,7,4,6,10,9,19,2,20,18,14,5,11,13,21,12,8/E:(6,7)(8,9)/rA:22nCCCCCCCOCCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96488 |
Area: | 523.823 |
Solvation: | -4.1307 |
Coulombic: | -35.4597 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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