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Chemical ID: 6032226
Chemical ID:
6032226
Name [?]:
ethyl 1-[3-(cyclopropyl-(3-furylcarbonyl)amino)propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(C2CC2)C(=O)c3ccoc3
InChi [?]:
InChI=1/C19H26N2O5/c1-2-26-19(24)14-5-9-20(10-6-14)17(22)7-11-21(16-3-4-16)18(23)15-8-12-25-13-15/h8,12-14,16H,2-7,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,19,7,11,14,23,8,10,15,24,26,6,22,17,12,20,4,9,16,13,21,5,25,3/E:(3,4)(5,6)(9,10)/rA:26nCCOCOCCCNCCCOCCNCCCCOCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s17s18;s16;d20;s20;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0287 |
Area: | 584.821 |
Solvation: | -4.59182 |
Coulombic: | -55.8096 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 362.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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