Chemical ID: 6722525

c1ccc(cc1)CCN2CC(CC2=O)C(=O)NCc3ccco3
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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