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Chemical ID: 7100657
Chemical ID:
7100657
Name [?]:
2-[4-(cyclohexylaminomethyl)-2-ethoxy-phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CCOc1cc(ccc1OCC(=O)NC(C)(C)C)CNC2CCCCC2
InChi [?]:
InChI=1/C21H34N2O3/c1-5-25-19-13-16(14-22-17-9-7-6-8-10-17)11-12-18(19)26-15-20(24)23-21(2,3)4/h11-13,17,22H,5-10,14-15H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,2,24,23,25,22,26,7,8,5,19,11,6,21,9,4,12,15,20,14,13,3,10/E:(2,3,4)(7,8)(9,10)/rA:26nCCOCCCCCCOCCONCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s15;s15;s6;s19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H34N2O3 |
All Atoms: | 60 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56656 |
Area: | 628.141 |
Solvation: | -6.13695 |
Coulombic: | -44.5043 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 362.506 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.82 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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