N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
C₁₆H₂₁NO₂·259.340 g/mol·CID 208902
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
1
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
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH361Suspected of damaging fertility or the unborn child
Source: PubChem GHS Classification. Always consult the SDS for handling.
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)/t12-/m0/s1