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Chemical ID: 6036921
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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