N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

C16H19NO2 — CID 11708675

IUPACN-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
SMILESCCC(=O)NCC[C@@H]1CCc2ccc3occc3c21
InChIInChI=1S/C16H19NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyMBBNFGRNNUHFSM-LBPRGKRZSA-N
MW257.33 g/mol
LogP3.38
Rot. Bonds4

About N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide (PubChem CID 11708675) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
PubChem CID11708675
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
SMILESCCC(=O)NCC[C@@H]1CCc2ccc3occc3c21
InChIInChI=1S/C16H19NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyMBBNFGRNNUHFSM-LBPRGKRZSA-N
XLogP3.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The IUPAC name of N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide (CID 11708675) is N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide is CCC(=O)NCC[C@@H]1CCc2ccc3occc3c21.
What is the InChIKey of N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The InChIKey is MBBNFGRNNUHFSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide has a molecular weight of 257.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8S)-7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide is sourced from PubChem (CID 11708675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).