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Chemical ID: 7244429
Chemical ID:
7244429
Name [?]:
2-[4-(2-methylaminoacetyl)piperazin-1-yl]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CNC
InChi [?]:
InChI=1/C13H26N4O2/c1-13(2,3)15-11(18)10-16-5-7-17(8-6-16)12(19)9-14-4/h14H,5-10H2,1-4H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,10,14,11,13,17,8,6,15,2,18,5,9,12,7,16/E:(1,2,3)(5,6)(7,8)/rA:19nCCCCNCOCNCCNCCCOCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N4O2 |
All Atoms: | 45 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71515 |
Area: | 482.746 |
Solvation: | -4.35351 |
Coulombic: | -48.6534 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.75 |
LogP (Chemaxon): | -1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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