2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone

C16H23NO4 — CID 164638353

IUPAC2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C16H23NO4/c1-19-9-10-20-13-16(18)17-8-7-15(11-17)21-12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3/t15-/m0/s1
InChIKeyFGAGCEYYLZVCFQ-HNNXBMFYSA-N
MW293.36 g/mol
LogP1.47
Rot. Bonds8

About 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone

2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone (PubChem CID 164638353) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
PubChem CID164638353
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C16H23NO4/c1-19-9-10-20-13-16(18)17-8-7-15(11-17)21-12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3/t15-/m0/s1
InChIKeyFGAGCEYYLZVCFQ-HNNXBMFYSA-N
XLogP1.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone 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 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone (CID 164638353) is 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone is COCCOCC(=O)N1CC[C@H](OCc2ccccc2)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
The InChIKey is FGAGCEYYLZVCFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-9-10-20-13-16(18)17-8-7-15(11-17)21-12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone has a molecular weight of 293.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 164638353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).