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Chemical ID: 6032097
Chemical ID:
6032097
Name [?]:
ethyl 1-[3-(butyl-(3-furylcarbonyl)amino)propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCCCN(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)c2ccoc2
InChi [?]:
InChI=1/C20H30N2O5/c1-3-5-10-22(19(24)17-9-14-26-15-17)13-8-18(23)21-11-6-16(7-12-21)20(25)27-4-2/h9,14-16H,3-8,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,3,12,14,7,24,4,11,15,6,25,27,13,23,8,21,16,10,5,9,22,17,26,18/E:(6,7)(11,12)/rA:27nCCCCNCCCONCCCCCCOOCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s5;d21;s21;s23;d24;s25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N2O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1189 |
Area: | 636.319 |
Solvation: | -4.7891 |
Coulombic: | -56.773 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 378.463 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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