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Chemical ID: 7477317
Chemical ID:
7477317
Name [?]:
2-(3-methylphenoxy)-N-(m-tolyl)propanamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C(C)Oc2cccc(c2)C
InChi [?]:
InChI=1/C17H19NO2/c1-12-6-4-8-15(10-12)18-17(19)14(3)20-16-9-5-7-13(2)11-16/h4-11,14H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,12,4,16,3,17,5,15,7,19,2,18,11,6,14,9,8,10,13/rA:20cCCCCCCCNCOCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.64363 |
Area: | 485.826 |
Solvation: | -3.50202 |
Coulombic: | -30.2472 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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