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

C18H23NO3 — CID 91771691

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCC1
InChIInChI=1S/C18H23NO3/c20-15-9-14(10-15)17(19-18(21)11-2-1-3-11)13-4-5-16-12(8-13)6-7-22-16/h4-5,8,11,14-15,17,20H,1-3,6-7,9-10H2,(H,19,21)
InChIKeyYUQBZVDRVUGYCS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds4

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide (PubChem CID 91771691) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
PubChem CID91771691
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCC1
InChIInChI=1S/C18H23NO3/c20-15-9-14(10-15)17(19-18(21)11-2-1-3-11)13-4-5-16-12(8-13)6-7-22-16/h4-5,8,11,14-15,17,20H,1-3,6-7,9-10H2,(H,19,21)
InChIKeyYUQBZVDRVUGYCS-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]pyrazolidine-3-carboxamide
CID 133266912
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-pyrrolidin-1-ylpropanamide
CID 91765140
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]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]thiophene-3-carboxamide
CID 91770511
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]-3-pyridin-4-ylpropanamide
CID 91760338

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide (CID 91771691) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCC1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide?
The InChIKey is YUQBZVDRVUGYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-15-9-14(10-15)17(19-18(21)11-2-1-3-11)13-4-5-16-12(8-13)6-7-22-16/h4-5,8,11,14-15,17,20H,1-3,6-7,9-10H2,(H,19,21).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 91771691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).