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Chemical ID: 6032608
Chemical ID:
6032608
Name [?]:
N-hexyl-1-[(2-methyl-3-furyl)carbonyl]piperidine-3-carboxamide
SMILES [?]:
CCCCCCNC(=O)C1CCCN(C1)C(=O)c2ccoc2C
InChi [?]:
InChI=1/C18H28N2O3/c1-3-4-5-6-10-19-17(21)15-8-7-11-20(13-15)18(22)16-9-12-23-14(16)2/h9,12,15H,3-8,10-11,13H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,4,5,12,11,19,6,13,20,15,22,10,18,8,16,7,14,9,17,21/rA:23cCCCCCCNCOCCCCNCCOCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;d19;s20;d18s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7756 |
Area: | 568.382 |
Solvation: | -3.4339 |
Coulombic: | -44.6621 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 320.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.6 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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