Chemical ID: 6032097

CCCCN(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)c2ccoc2
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

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Descriptor Annotations

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