2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone

C24H27NO4 — CID 96530007

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(CC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)coc2c1
InChIInChI=1S/C24H27NO4/c1-27-20-9-10-22-19(17-29-23(22)15-20)14-24(26)25-12-11-21(16-25)28-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,15,17,21H,5,8,11-14,16H2,1H3/t21-/m1/s1
InChIKeyDLWGIEDGAWTZLB-OAQYLSRUSA-N
MW393.48 g/mol
LogP4.23
Rot. Bonds8

About 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone

2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone (PubChem CID 96530007) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
PubChem CID96530007
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(CC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)coc2c1
InChIInChI=1S/C24H27NO4/c1-27-20-9-10-22-19(17-29-23(22)15-20)14-24(26)25-12-11-21(16-25)28-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,15,17,21H,5,8,11-14,16H2,1H3/t21-/m1/s1
InChIKeyDLWGIEDGAWTZLB-OAQYLSRUSA-N
XLogP4.23
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-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

Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 124611637
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
(3R,4S)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167790991
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone
CID 9467205
4-hydroxy-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251257
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 38375787
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
tert-butyl 4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 34019092
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 94487182
1-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 94487184

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone (CID 96530007) is 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone is COc1ccc2c(CC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is DLWGIEDGAWTZLB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27NO4/c1-27-20-9-10-22-19(17-29-23(22)15-20)14-24(26)25-12-11-21(16-25)28-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,15,17,21H,5,8,11-14,16H2,1H3/t21-/m1/s1.
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 393.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 96530007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).