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

C20H28N2O3 — CID 91765140

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C20H28N2O3/c23-17-12-16(13-17)20(15-3-4-18-14(11-15)6-10-25-18)21-19(24)5-9-22-7-1-2-8-22/h3-4,11,16-17,20,23H,1-2,5-10,12-13H2,(H,21,24)
InChIKeyXPNIUTXCVZJRLE-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.04
Rot. Bonds6

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 91765140) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID91765140
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C20H28N2O3/c23-17-12-16(13-17)20(15-3-4-18-14(11-15)6-10-25-18)21-19(24)5-9-22-7-1-2-8-22/h3-4,11,16-17,20,23H,1-2,5-10,12-13H2,(H,21,24)
InChIKeyXPNIUTXCVZJRLE-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 91786178
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]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyridin-4-ylpropanamide
CID 91760338
2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
CID 91778926
3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
CID 91759809
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]pyridine-4-carboxamide
CID 91784492
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 91761665

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide (CID 91765140) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)NC(c1ccc2c(c1)CCO2)C1CC(O)C1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is XPNIUTXCVZJRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-17-12-16(13-17)20(15-3-4-18-14(11-15)6-10-25-18)21-19(24)5-9-22-7-1-2-8-22/h3-4,11,16-17,20,23H,1-2,5-10,12-13H2,(H,21,24).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 344.46 g/mol, XLogP of 2.04, 6 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]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 91765140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).