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Chemical ID: 6032274
Chemical ID:
6032274
Name [?]:
ethyl 1-[3-[butyl-[(2,5-dimethyl-3-furyl)carbonyl]amino]propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCCCN(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C22H34N2O5/c1-5-7-11-24(21(26)19-15-16(3)29-17(19)4)14-10-20(25)23-12-8-18(9-13-23)22(27)28-6-2/h15,18H,5-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,29,28,2,19,3,12,14,7,4,11,15,6,24,25,27,13,23,8,21,16,10,5,9,22,17,18,26/E:(8,9)(12,13)/rA:29nCCCCNCCCONCCCCCCOOCCCOCCCOCCC/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;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H34N2O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.438 |
Area: | 682.346 |
Solvation: | -4.62064 |
Coulombic: | -56.7746 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 406.516 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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