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Chemical ID: 7109653
Chemical ID:
7109653
Name [?]:
2-[4-(p-tolylmethylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
Cc1ccc(cc1)CNCc2ccc(cc2)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C21H28N2O2/c1-16-5-7-17(8-6-16)13-22-14-18-9-11-19(12-10-18)25-15-20(24)23-21(2,3)4/h5-12,22H,13-15H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,3,7,4,6,12,16,13,15,8,10,18,2,5,11,14,19,22,9,21,20,17/E:(2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O2 |
All Atoms: | 53 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6807 |
Area: | 606.063 |
Solvation: | -4.47087 |
Coulombic: | -38.7821 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 340.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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