N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide

C17H19NO2 — CID 51206826

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
SMILESCC(NC(=O)CC1C=CCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H19NO2/c1-12(18-17(19)10-13-6-2-3-7-13)16-11-14-8-4-5-9-15(14)20-16/h2,4-6,8-9,11-13H,3,7,10H2,1H3,(H,18,19)
InChIKeyXHECVNQCFOIARC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.97
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 51206826) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID51206826
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
SMILESCC(NC(=O)CC1C=CCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H19NO2/c1-12(18-17(19)10-13-6-2-3-7-13)16-11-14-8-4-5-9-15(14)20-16/h2,4-6,8-9,11-13H,3,7,10H2,1H3,(H,18,19)
InChIKeyXHECVNQCFOIARC-UHFFFAOYSA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 119691713
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202178
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55395187

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide (CID 51206826) is N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide is CC(NC(=O)CC1C=CCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is XHECVNQCFOIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(18-17(19)10-13-6-2-3-7-13)16-11-14-8-4-5-9-15(14)20-16/h2,4-6,8-9,11-13H,3,7,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 269.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 51206826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).