2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C21H24N2O2 — CID 56510653

IUPAC2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C21H24N2O2/c1-22(12-13-23-10-4-5-11-23)20(24)14-17-15-25-19-9-8-16-6-2-3-7-18(16)21(17)19/h2-3,6-9,15H,4-5,10-14H2,1H3
InChIKeyQYBPBLILCYILSR-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.68
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 56510653) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID56510653
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C21H24N2O2/c1-22(12-13-23-10-4-5-11-23)20(24)14-17-15-25-19-9-8-16-6-2-3-7-18(16)21(17)19/h2-3,6-9,15H,4-5,10-14H2,1H3
InChIKeyQYBPBLILCYILSR-UHFFFAOYSA-N
XLogP3.68
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 18230580
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18872572
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
CID 18279690
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510652
2-(1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63208732
2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4628724
2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 9469786

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 56510653) is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CN(CCN1CCCC1)C(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is QYBPBLILCYILSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22(12-13-23-10-4-5-11-23)20(24)14-17-15-25-19-9-8-16-6-2-3-7-18(16)21(17)19/h2-3,6-9,15H,4-5,10-14H2,1H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 336.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 56510653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).