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Chemical ID: 5044847
Chemical ID:
5044847
Name [?]:
N-(2-furylmethyl)-2-oxo-2-(1-piperidyl)acetamide
SMILES [?]:
c1cc(oc1)CNC(=O)C(=O)N2CCCCC2
InChi [?]:
InChI=1/C12H16N2O3/c15-11(13-9-10-5-4-8-17-10)12(16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,13,15)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,2,13,17,5,6,3,8,10,7,12,9,11,4/E:(2,3)(6,7)/rA:17nCCCOCCNCOCONCCCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9584 |
Area: | 425.6 |
Solvation: | -2.68159 |
Coulombic: | -49.0631 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.31 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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