Chemical ID: 6036921

CCN(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)c2ccoc2
Chemical ID:
6036921
Name [?]:
ethyl 1-[3-(ethyl-(3-furylcarbonyl)amino)propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCN(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)c2ccoc2
InChi [?]:
InChI=1/C18H26N2O5/c1-3-19(17(22)15-8-12-24-13-15)11-7-16(21)20-9-5-14(6-10-20)18(23)25-4-2/h8,12-14H,3-7,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,10,12,5,22,9,13,4,23,25,11,21,6,19,14,3,8,7,20,15,24,16/E:(5,6)(9,10)/rA:25nCCNCCCONCCCCCCOOCCCOCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s3;d19;s19;s21;d22;s23;d21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.80312
Area:586.854
Solvation:-4.86822
Coulombic:-56.1715
Bond Count [?]
All:26
Single:21
Double:5
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:350.41
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.73
LogP (Chemaxon):0.49

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Descriptor Annotations

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