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Chemical ID: 3959381
Chemical ID:
3959381
Name [?]:
N,N-diisopropyl-2-(tetrahydrofuran-2-ylmethylamino)acetamide
SMILES [?]:
CC(C)N(C(C)C)C(=O)CNCC1CCCO1
InChi [?]:
InChI=1/C13H26N2O2/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h10-12,14H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,15,14,16,12,10,2,5,13,8,11,4,9,17/E:(1,2,3,4)(10,11)/rA:17cCCCNCCCCOCNCCCCCO/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.98715 |
Area: | 452.229 |
Solvation: | -4.31858 |
Coulombic: | -31.6915 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.26 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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