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Chemical ID: 7509920
Chemical ID:
7509920
Name [?]:
2-[2-(hydroxymethyl)phenoxy]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)COc2ccccc2CO
InChi [?]:
InChI=1/C16H17NO4/c1-20-14-8-6-13(7-9-14)17-16(19)11-21-15-5-3-2-4-12(15)10-18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,5,7,4,8,20,12,19,6,3,14,10,9,21,11,2,13/E:(6,7)(8,9)/rA:21nCOCCCCCCNCOCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO4 |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.63143 |
Area: | 497.673 |
Solvation: | -5.81039 |
Coulombic: | -52.5429 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.78 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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