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Chemical ID: 6447186
Chemical ID:
6447186
Name [?]:
2-[2-(hydroxymethyl)phenoxy]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2ccccc2CO
InChi [?]:
InChI=1/C16H17NO3/c1-12-6-8-14(9-7-12)17-16(19)11-20-15-5-3-2-4-13(15)10-18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,3,7,4,6,19,11,2,18,5,13,9,8,20,10,12/E:(6,7)(8,9)/rA:20nCCCCCCCNCOCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42512 |
Area: | 480.771 |
Solvation: | -4.59416 |
Coulombic: | -46.0907 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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