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Chemical ID: 7531378
Chemical ID:
7531378
Name [?]:
N-(2-hydroxy-5-methyl-phenyl)-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccccc2C)O
InChi [?]:
InChI=1/C16H17NO3/c1-11-7-8-14(18)13(9-11)17-16(19)10-20-15-6-4-3-5-12(15)2/h3-9,18H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,16,15,17,14,3,4,7,11,2,18,6,5,13,9,8,20,10,12/rA:20nCCCCCCCNCOCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.64145 |
Area: | 476.648 |
Solvation: | -4.27475 |
Coulombic: | -45.4427 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.36 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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