Chemical ID: 6033132

CCOC(=O)C1CCN(CC1)C(=O)CCN(CC2CCCO2)C(=O)c3ccoc3
Chemical ID:
6033132
Name [?]:
ethyl 1-[3-(3-furylcarbonyl-(tetrahydrofuran-2-ylmethyl)amino)propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(CC2CCCO2)C(=O)c3ccoc3
InChi [?]:
InChI=1/C21H30N2O6/c1-2-28-21(26)16-5-9-22(10-6-16)19(24)7-11-23(14-18-4-3-12-29-18)20(25)17-8-13-27-15-17/h8,13,15-16,18H,2-7,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,7,11,14,26,8,10,15,21,27,17,29,6,25,18,12,23,4,9,16,13,24,5,28,3,22/E:(5,6)(9,10)/rA:29cCCOCOCCCNCCCOCCNCCCCCOCOCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s18;s19;s20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.20234
Area:640.302
Solvation:-6.8052
Coulombic:-62.4761
Bond Count [?]
All:31
Single:26
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:406.473
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:0.66
LogP (Chemaxon):0.38

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Descriptor Annotations

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