N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide

C17H23N3O3 — CID 133266912

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCNN1
InChIInChI=1S/C17H23N3O3/c21-13-8-12(9-13)16(19-17(22)14-3-5-18-20-14)11-1-2-15-10(7-11)4-6-23-15/h1-2,7,12-14,16,18,20-21H,3-6,8-9H2,(H,19,22)
InChIKeyLVHZZAUKMFRNND-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.42
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 133266912) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide
PubChem CID133266912
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCNN1
InChIInChI=1S/C17H23N3O3/c21-13-8-12(9-13)16(19-17(22)14-3-5-18-20-14)11-1-2-15-10(7-11)4-6-23-15/h1-2,7,12-14,16,18,20-21H,3-6,8-9H2,(H,19,22)
InChIKeyLVHZZAUKMFRNND-UHFFFAOYSA-N
XLogP0.42
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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]oxane-4-carboxamide
CID 91784935
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-methylsulfanylacetamide
CID 91768807
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 91786178
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]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 91761665
5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide
CID 91789441
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91790185
5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91764049

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide (CID 133266912) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCNN1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is LVHZZAUKMFRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-13-8-12(9-13)16(19-17(22)14-3-5-18-20-14)11-1-2-15-10(7-11)4-6-23-15/h1-2,7,12-14,16,18,20-21H,3-6,8-9H2,(H,19,22).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.42, 4 rotatable bonds, 4 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]pyrazolidine-3-carboxamide is sourced from PubChem (CID 133266912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).