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Chemical ID: 7106536
Chemical ID:
7106536
Name [?]:
2-[4-(2-methoxyethylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)COc1ccc(cc1)CNCCOC
InChi [?]:
InChI=1/C16H26N2O3/c1-16(2,3)18-15(19)12-21-14-7-5-13(6-8-14)11-17-9-10-20-4/h5-8,17H,9-12H2,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,12,14,11,15,18,19,16,8,13,10,6,2,17,5,7,20,9/E:(1,2,3)(5,6)(7,8)/rA:21nCCCCNCOCOCCCCCCCNCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31066 |
Area: | 542.972 |
Solvation: | -6.26364 |
Coulombic: | -43.9817 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 294.389 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.73 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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