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

C20H23N2O2+ — CID 8531335

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCC[NH+]1CCCC1
InChIInChI=1S/C20H22N2O2/c23-19(21-9-12-22-10-3-4-11-22)13-16-14-24-18-8-7-15-5-1-2-6-17(15)20(16)18/h1-2,5-8,14H,3-4,9-13H2,(H,21,23)/p+1
InChIKeyVXMROFAEEUQEFG-UHFFFAOYSA-O
MW323.42 g/mol
LogP1.92
Rot. Bonds5

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

2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide (PubChem CID 8531335) has the molecular formula C20H23N2O2+ and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
PubChem CID8531335
Molecular FormulaC20H23N2O2+
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCC[NH+]1CCCC1
InChIInChI=1S/C20H22N2O2/c23-19(21-9-12-22-10-3-4-11-22)13-16-14-24-18-8-7-15-5-1-2-6-17(15)20(16)18/h1-2,5-8,14H,3-4,9-13H2,(H,21,23)/p+1
InChIKeyVXMROFAEEUQEFG-UHFFFAOYSA-O
XLogP1.92
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7964651
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 24650064
2-benzo[e][1]benzofuran-1-yl-N-[2-(4-nitroanilino)ethyl]acetamide
CID 46415646
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149455

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide (CID 8531335) is 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)NCC[NH+]1CCCC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The InChIKey is VXMROFAEEUQEFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N2O2/c23-19(21-9-12-22-10-3-4-11-22)13-16-14-24-18-8-7-15-5-1-2-6-17(15)20(16)18/h1-2,5-8,14H,3-4,9-13H2,(H,21,23)/p+1.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide is sourced from PubChem (CID 8531335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).