Chemical ID: 6032274

CCCCN(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)c2cc(oc2C)C
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

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Descriptor Annotations

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