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Chemical ID: 7269176
Chemical ID:
7269176
Name [?]:
N-(2,6-diisopropylphenyl)-2-tert-butylamino-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CNC(C)(C)C)C(C)C
InChi [?]:
InChI=1/C18H30N2O/c1-12(2)14-9-8-10-15(13(3)4)17(14)20-16(21)11-19-18(5,6)7/h8-10,12-13,19H,11H2,1-7H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,16,17,18,6,5,7,13,2,19,4,8,11,9,15,14,10,12/E:(1,2,3,4)(5,6,7)(9,10)(12,13)(14,15)/rA:21nCCCCCCCCCNCOCNCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s15;s15;s8;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H30N2O |
All Atoms: | 51 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4136 |
Area: | 517.762 |
Solvation: | -2.53041 |
Coulombic: | -30.6304 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 290.444 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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