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

C19H24N2O4 — CID 91786178

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C(=O)N1CCCC1
InChIInChI=1S/C19H24N2O4/c22-15-10-14(11-15)17(13-3-4-16-12(9-13)5-8-25-16)20-18(23)19(24)21-6-1-2-7-21/h3-4,9,14-15,17,22H,1-2,5-8,10-11H2,(H,20,23)
InChIKeyFVEZCZXLPURTAP-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.17
Rot. Bonds3

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 91786178) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID91786178
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C(=O)N1CCCC1
InChIInChI=1S/C19H24N2O4/c22-15-10-14(11-15)17(13-3-4-16-12(9-13)5-8-25-16)20-18(23)19(24)21-6-1-2-7-21/h3-4,9,14-15,17,22H,1-2,5-8,10-11H2,(H,20,23)
InChIKeyFVEZCZXLPURTAP-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-3-pyrrolidin-1-ylpropanamide
CID 91765140
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
CID 91771691
3-(azepan-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
CID 91769128
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]oxane-4-carboxamide
CID 91784935
2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
CID 91778926
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]pyrazolidine-3-carboxamide
CID 133266912
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide
CID 91784237
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
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]thiophene-3-carboxamide
CID 91770511

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 91786178) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C(=O)N1CCCC1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is FVEZCZXLPURTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-15-10-14(11-15)17(13-3-4-16-12(9-13)5-8-25-16)20-18(23)19(24)21-6-1-2-7-21/h3-4,9,14-15,17,22H,1-2,5-8,10-11H2,(H,20,23).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 344.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 91786178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).