196597-17-8
C₁₆H₂₁NO₂·259.340 g/mol·CID 9881626
IUPAC: N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
Also known as: N-[2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]propanamide, N-(2-(1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide, RefChem:360272, N-(2-(2,6,7,8-tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethyl)propionamide, (Rac)-Remelteon (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
259.340g/mol
Exact Mass
259.157229Da
Monoisotopic Mass
259.157229Da
XLogP
2.7
Polar Surface Area
38.3Ų
Complexity
331
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
4
Heavy Atoms
19
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 259.3 g/mol
MW ≤ 500
✓ 2.7
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)