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Chemical ID: 4151491
Chemical ID:
4151491
Name [?]:
N-(m-tolyl)-4-phenoxy-butanamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-14-7-5-8-15(13-14)18-17(19)11-6-12-20-16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,4,12,3,5,16,20,11,13,7,2,6,15,9,8,10,14/E:(3,4)(9,10)/rA:20nCCCCCCCNCOCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69585 |
Area: | 495.366 |
Solvation: | -3.68829 |
Coulombic: | -28.5344 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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