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Chemical ID: 7100651
Chemical ID:
7100651
Name [?]:
2-[4-(2-hydroxyethylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)COc1ccc(cc1)CNCCO
InChi [?]:
InChI=1/C15H24N2O3/c1-15(2,3)17-14(19)11-20-13-6-4-12(5-7-13)10-16-8-9-18/h4-7,16,18H,8-11H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,14,11,15,18,19,16,8,13,10,6,2,17,5,20,7,9/E:(1,2,3)(4,5)(6,7)/rA:20nCCCCNCOCOCCCCCCCNCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00554 |
Area: | 516.146 |
Solvation: | -5.89812 |
Coulombic: | -52.8078 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.21 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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