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Chemical ID: 6722525
Chemical ID:
6722525
Name [?]:
N-(2-furylmethyl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide
SMILES [?]:
c1ccc(cc1)CCN2CC(CC2=O)C(=O)NCc3ccco3
InChi [?]:
InChI=1/C18H20N2O3/c21-17-11-15(18(22)19-12-16-7-4-10-23-16)13-20(17)9-8-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,3,5,20,7,8,22,12,18,10,4,11,19,13,15,17,9,14,16,23/E:(2,3)(5,6)/rA:23cCCCCCCCCNCCCCOCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s9s12;d13;s11;d15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.34292 |
Area: | 549.794 |
Solvation: | -4.40193 |
Coulombic: | -43.0239 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.95 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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