N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide

C15H17NO2 — CID 9366149

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
SMILESC[C@@H](NC(=O)C1CCC1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO2/c1-10(16-15(17)11-6-4-7-11)14-9-12-5-2-3-8-13(12)18-14/h2-3,5,8-11H,4,6-7H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyKOLLWTFUWLKQDA-SNVBAGLBSA-N
MW243.31 g/mol
LogP3.41
Rot. Bonds3

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide (PubChem CID 9366149) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
PubChem CID9366149
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
SMILESC[C@@H](NC(=O)C1CCC1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO2/c1-10(16-15(17)11-6-4-7-11)14-9-12-5-2-3-8-13(12)18-14/h2-3,5,8-11H,4,6-7H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyKOLLWTFUWLKQDA-SNVBAGLBSA-N
XLogP3.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
1-(benzenesulfonyl)-N-[1-(1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 55389739
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55730052
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202178
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide (CID 9366149) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide is C[C@@H](NC(=O)C1CCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is KOLLWTFUWLKQDA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(16-15(17)11-6-4-7-11)14-9-12-5-2-3-8-13(12)18-14/h2-3,5,8-11H,4,6-7H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 243.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 9366149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).