N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide

C20H20N2O4 — CID 91784237

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C(=O)c1cccnc1
InChIInChI=1S/C20H20N2O4/c23-16-9-15(10-16)18(13-3-4-17-12(8-13)5-7-26-17)22-20(25)19(24)14-2-1-6-21-11-14/h1-4,6,8,11,15-16,18,23H,5,7,9-10H2,(H,22,25)
InChIKeyZWLGYPYLMOEYCQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.83
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide (PubChem CID 91784237) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide
PubChem CID91784237
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C(=O)c1cccnc1
InChIInChI=1S/C20H20N2O4/c23-16-9-15(10-16)18(13-3-4-17-12(8-13)5-7-26-17)22-20(25)19(24)14-2-1-6-21-11-14/h1-4,6,8,11,15-16,18,23H,5,7,9-10H2,(H,22,25)
InChIKeyZWLGYPYLMOEYCQ-UHFFFAOYSA-N
XLogP1.83
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 91784492
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 91786178
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyridin-4-ylpropanamide
CID 91760338
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
CID 91768807
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
CID 91771691
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-ethoxybenzamide
CID 91767542
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 91761665
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]oxane-4-carboxamide
CID 91784935
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide
CID 91770511
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide
CID 91788262
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 133268359
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(dimethylcarbamoylamino)acetamide
CID 91769960

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide (CID 91784237) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C(=O)c1cccnc1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide?
The InChIKey is ZWLGYPYLMOEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-16-9-15(10-16)18(13-3-4-17-12(8-13)5-7-26-17)22-20(25)19(24)14-2-1-6-21-11-14/h1-4,6,8,11,15-16,18,23H,5,7,9-10H2,(H,22,25).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide has a molecular weight of 352.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide is sourced from PubChem (CID 91784237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).