N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide

C16H19NO3 — CID 110013757

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1O)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO3/c1-10(17-16(19)12-6-4-7-13(12)18)15-9-11-5-2-3-8-14(11)20-15/h2-3,5,8-10,12-13,18H,4,6-7H2,1H3,(H,17,19)
InChIKeyRHOZFPGZDOLQEX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110013757) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110013757
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1O)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO3/c1-10(17-16(19)12-6-4-7-13(12)18)15-9-11-5-2-3-8-14(11)20-15/h2-3,5,8-10,12-13,18H,4,6-7H2,1H3,(H,17,19)
InChIKeyRHOZFPGZDOLQEX-UHFFFAOYSA-N
XLogP2.77
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423092
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 51206826
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide (CID 110013757) is N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide is CC(NC(=O)C1CCCC1O)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is RHOZFPGZDOLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(17-16(19)12-6-4-7-13(12)18)15-9-11-5-2-3-8-14(11)20-15/h2-3,5,8-10,12-13,18H,4,6-7H2,1H3,(H,17,19).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110013757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).