Chemical ID: 6032329

CCOC(=O)C1CCN(CC1)C(=O)CCN(Cc2ccco2)C(=O)c3cc(oc3C)C
Chemical ID:
6032329
Name [?]:
ethyl 1-[3-[(2,5-dimethyl-3-furyl)carbonyl-(2-furylmethyl)amino]propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(Cc2ccco2)C(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C23H30N2O6/c1-4-29-23(28)18-7-10-24(11-8-18)21(26)9-12-25(15-19-6-5-13-30-19)22(27)20-14-16(2)31-17(20)3/h5-6,13-14,18H,4,7-12,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,20,19,7,11,14,8,10,15,21,26,17,27,29,6,18,25,12,23,4,9,16,13,24,5,3,22,28/E:(7,8)(10,11)/rA:31nCCOCOCCCNCCCOCCNCCCCCOCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;d18;s19;d20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.0407
Area:667.49
Solvation:-5.64656
Coulombic:-62.6298
Bond Count [?]
All:33
Single:26
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.494
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.19
LogP (Chemaxon):0.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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