Chemical ID: 5517355

CCN(CC)C(=O)N1CCN(CC1)C(=O)c2ccco2
Chemical ID:
5517355
Name [?]:
N,N-diethyl-4-(2-furylcarbonyl)piperazine-1-carboxamide
SMILES [?]:
CCN(CC)C(=O)N1CCN(CC1)C(=O)c2ccco2
InChi [?]:
InChI=1/C14H21N3O3/c1-3-15(4-2)14(19)17-9-7-16(8-10-17)13(18)12-6-5-11-20-12/h5-6,11H,3-4,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,17,10,12,9,13,19,16,14,6,3,11,8,15,7,20/E:(1,2)(3,4)(7,8)(9,10)/rA:20nCCNCCCONCCNCCCOCCCCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.63232
Area:463.647
Solvation:-2.95886
Coulombic:-51.4077
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:279.335
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.33
LogP (Chemaxon):0.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue