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Chemical ID: 6032180
Chemical ID:
6032180
Name [?]:
ethyl 1-[3-(3-furylcarbonyl-sec-butyl-amino)propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCC(C)N(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)c2ccoc2
InChi [?]:
InChI=1/C20H30N2O5/c1-4-15(3)22(19(24)17-9-13-26-14-17)12-8-18(23)21-10-6-16(7-11-21)20(25)27-5-2/h9,13-16H,4-8,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,4,2,19,12,14,7,24,11,15,6,25,27,3,13,23,8,21,16,10,5,9,22,17,26,18/E:(6,7)(10,11)/rA:27cCCCCNCCCONCCCCCCOOCCCOCCCOC/rB:s1;s2;s3;s3;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: | 1 |
ZAP Information [?]
Total: | 10.7131 |
Area: | 616.875 |
Solvation: | -4.70879 |
Coulombic: | -56.7239 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 378.463 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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