2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide

C16H20N2O3 — CID 119552458

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1ccc2c(CC(=O)N(C)C3CCNC3)coc2c1
InChIInChI=1S/C16H20N2O3/c1-18(12-5-6-17-9-12)16(19)7-11-10-21-15-8-13(20-2)3-4-14(11)15/h3-4,8,10,12,17H,5-7,9H2,1-2H3
InChIKeyDPWOZBMPLIUBOF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.80
Rot. Bonds4

About 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119552458) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119552458
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1ccc2c(CC(=O)N(C)C3CCNC3)coc2c1
InChIInChI=1S/C16H20N2O3/c1-18(12-5-6-17-9-12)16(19)7-11-10-21-15-8-13(20-2)3-4-14(11)15/h3-4,8,10,12,17H,5-7,9H2,1-2H3
InChIKeyDPWOZBMPLIUBOF-UHFFFAOYSA-N
XLogP1.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550456
2-(6-methoxy-1-benzofuran-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452018
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
N-cyclopropyl-2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17430809
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554487
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551546
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 120736384
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 2532585
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119552458) is 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide is COc1ccc2c(CC(=O)N(C)C3CCNC3)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is DPWOZBMPLIUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(12-5-6-17-9-12)16(19)7-11-10-21-15-8-13(20-2)3-4-14(11)15/h3-4,8,10,12,17H,5-7,9H2,1-2H3.
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119552458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).